Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
106 | David B. Pettigrew, Paul Smolen, Douglas A. Baxter, John H. Byrne |
Dynamic Properties of Regulatory Motifs Associated with Induction of Three Temporal Domains of Memory in Aplysia. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Neurosci. ![In: J. Comput. Neurosci. 18(2), pp. 163-181, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
PKA, Ap-uch, CREB, LTF, Aplysia, LTM, sensitization |
58 | Kunpeng Zhang, Yun Xu, Yifei Shen, Guoliang Chen 0001 |
Using a Neural Networking Method to Predict the Protein Phosphorylation Sites with Specific Kinase. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISNN (2) ![In: Advances in Neural Networks - ISNN 2006, Third International Symposium on Neural Networks, Chengdu, China, May 28 - June 1, 2006, Proceedings, Part III, pp. 682-689, 2006, Springer, 3-540-34482-9. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
phosphorylation site predicting, protein kinase, PKA, IKK, Neural Network, protein structure |
46 | Jackson J. Alcázar, Alessandra C. Misad Saide, Paola R. Campodónico |
Reliable and accurate prediction of basic pKa values in nitrogen compounds: the pKa shift in supramolecular systems as a case study. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 90, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
46 | Mehtap Isik, Ariën S. Rustenburg, Andrea Rizzi, Marilyn R. Gunner, David L. Mobley, John D. Chodera |
Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 35(2), pp. 131-166, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
46 | Ilke Ugur, Antoine Marion, Stéphane Parant, Jan H. Jensen, Gerald Monard |
Rationalization of the pKa Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid pKa's. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 54(8), pp. 2200-2213, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
46 | Shuming Zhang |
A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately? ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 33(5), pp. 517-526, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
46 | Paul Czodrowski, Chresten R. Søndergaard, Sebastian Dohm, Gerhard Klebe, Jens Erik Nielsen |
LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3(S-1), pp. 21, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
24 | Zhiwen Yu 0002, Zhongkai Deng, Hau-San Wong |
Identification of phosphorylation sites using a hybrid classifier ensemble approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICPR ![In: 19th International Conference on Pattern Recognition (ICPR 2008), December 8-11, 2008, Tampa, Florida, USA, pp. 1-4, 2008, IEEE Computer Society, 978-1-4244-2175-6. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Shanhong Zheng, Chunguang Zhou, Yanwen Li, Guixia Liu |
Research on Signaling Pathway Reconstruction Based on HMM. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICYCS ![In: Proceedings of the 9th International Conference for Young Computer Scientists, ICYCS 2008, Zhang Jia Jie, Hunan, China, November 18-21, 2008, pp. 994-999, 2008, IEEE Computer Society, 978-0-7695-3398-8. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Rojan Shrestha, Jisu Kim, Kyungsook Han |
Prediction of RNA-Binding Residues in Proteins Using the Interaction Propensities of Amino Acids and Nucleotides. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICIC (1) ![In: Advanced Intelligent Computing Theories and Applications. With Aspects of Theoretical and Methodological Issues, 4th International Conference on Intelligent Computing, ICIC 2008, Shanghai, China, September 15-18, 2008, Proceedings, pp. 114-121, 2008, Springer, 978-3-540-87440-9. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
RNA-binding residues, protein-RNA interactions, support vector machine |
24 | Jiansheng Wu, Hongtao Wu, Hongde Liu, Haoyan Zhou, Xiao Sun 0006 |
Support Vector Machine for Prediction of DNA-Binding Domains in Protein-DNA Complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
LSMS (2) ![In: Life System Modeling and Simulation, International Conference, LSMS 2007, Shanghai, China, September 14-17, 2007, Proceedings, pp. 180-187, 2007, Springer, 978-3-540-74770-3. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
24 | Bogdan D. Czejdo, John Biguenet, Jonathan Biguenet, J. Czejdo |
A Personal Knowledge Assistant for Knowledge Storing, Integrating, and Querying. ![Search on Bibsonomy](Pics/bibsonomy.png) |
WISE Workshops ![In: Web Information Systems - WISE 2004 Workshops: WISE 2004 International Workshops, Brisbane, Australia, November 22-24, 2004. Proceedings, pp. 145-160, 2004, Springer, 3-540-23892-1. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
23 | Alec J. Sanchez, Sarah Maier, Krishnan Raghavachari |
Leveraging DFT and Molecular Fragmentation for Chemically Accurate pKa Prediction Using Machine Learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 64(3), pp. 712-723, 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
23 | Zhitao Cai, Hao Peng, Shuo Sun, Jiahao He, Fangfang Luo, Yandong Huang |
DeepKa Web Server: High-Throughput Protein pKa Prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 64(8), pp. 2933-2940, 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
23 | Hongle An, Xuyang Liu, Wensheng Cai, Xueguang Shao |
Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 64(7), pp. 2383-2392, 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
23 | Miguel A. Soler, Ozge Ozkilinc, Yamanappa Hunashal, Paolo Giannozzi, Gennaro Esposito, Federico Fogolari |
Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 287, pp. 108716, June 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
23 | Michael Diedenhofen, Frank Eckert, Selman Terzi |
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 37(8), pp. 395-405, August 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
23 | Wanlei Wei, Hervé Hogues, Traian Sulea |
Comparative Performance of High-Throughput Methods for Protein pKa Predictions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 63(16), pp. 5169-5181, August 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
23 | Zhitao Cai, Tengzi Liu, Qiaoling Lin, Jiahao He, Xiaowei Lei, Fangfang Luo, Yandong Huang |
Basis for Accurate Protein pKa Prediction with Machine Learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 63(10), pp. 2936-2947, May 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
23 | Ernest Awoonor-Williams, Andrei A. Golosov, Viktor Hornak |
Benchmarking In Silico Tools for Cysteine pKa Prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 63(7), pp. 2170-2180, April 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
23 | Yitian Wang, Jiacheng Xiong, Fu Xiao, Wei Zhang, Kaiyang Cheng, Jingxin Rao, Buying Niu, Xiaochu Tong, Ning Qu, Runze Zhang, Dingyan Wang, Kaixian Chen, Xutong Li, Mingyue Zheng |
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 76, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
23 | Niklas Sülzner, Julia Haberhauer, Christof Hättig, Arnim Hellweg |
Prediction of acid pKa values in the solvent acetone based on COSMO-RS. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 43(15), pp. 1011-1022, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
23 | Sergio A. Rodriguez, Jasmine Vy Tran, Spencer J. Sabatino, Andrew S. Paluch |
Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 36(9), pp. 687-705, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
23 | Jiacheng Xiong, Zhaojun Li, Guangchao Wang, Zunyun Fu, Feisheng Zhong, Tingyang Xu, Xiaomeng Liu, Ziming Huang, Xiaohong Liu 0002, Kaixian Chen, Hualiang Jiang, Mingyue Zheng |
Multi-instance learning of graph neural networks for aqueous pKa prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 38(3), pp. 792-798, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
23 | Matthew N. Bahr, Aakankschit Nandkeolyar, John K. Kenna, Neysa Nevins, Luigi Da Vià, Mehtap Isik, John D. Chodera, David L. Mobley |
Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 35(11), pp. 1141-1155, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, Junjun Mao, Marilyn R. Gunner, Karol Francisco, Carlo Ballatore, Stefan M. Kast, David L. Mobley |
Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 35(7), pp. 771-802, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Robert M. Raddi, Vincent A. Voelz |
Stacking Gaussian processes to improve pKa predictions in the SAMPL7 challenge. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 35(9), pp. 953-961, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Antonio Viayna, Silvana Pinheiro, Carles Curutchet, F. Javier Luque, William J. Zamora |
Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 35(7), pp. 803-811, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Xiaolin Pan, Hao Wang, Cuiyu Li, John Z. H. Zhang, Changge Ji |
MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 61(7), pp. 3159-3165, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Zeynep Pinar Haslak, Sabrina Zareb, Ilknur Dogan, Viktorya Aviyente, Gerald Monard |
Using Atomic Charges to Describe the pKa of Carboxylic Acids. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 61(6), pp. 2733-2743, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Lukasz Pawel Kozlowski |
IPC 2.0: prediction of isoelectric point and pKa dissociation constants. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 49(Webserver-Issue), pp. 285-292, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Pedro B. P. S. Reis, Djork-Arné Clevert, Miguel Machuqueiro |
pKPDB: a protein data bank extension database of pKa and pI theoretical values. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 38(1), pp. 297-298, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
23 | Marcel Baltruschat, Paul Czodrowski |
Machine learning meets pKa. ![Search on Bibsonomy](Pics/bibsonomy.png) |
F1000Research ![In: F1000Research 9, pp. 113, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
23 | Florian Hofer 0002, Johannes Kraml, Ursula Kahler, Anna S. Kamenik, Klaus R. Liedl |
Catalytic Site pKa Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 60(6), pp. 3030-3042, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
23 | Peter A. Hunt, Layla Hosseini-Gerami, Tomas Chrien, Jeffrey Plante, David J. Ponting, Matthew D. Segall |
Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 60(6), pp. 2989-2997, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
23 | Pedro B. P. S. Reis, Diogo Vila-Viçosa, Walter Rocchia, Miguel Machuqueiro |
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 60(10), pp. 4442-4448, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
23 | Max Hebditch, Jim Warwicker |
Protein-sol pKa: prediction of electrostatic frustration, with application to coronaviruses. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(20), pp. 5112-5114, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
23 | Luigi Accardi, Satoshi Iriyama, Koki Jimbo, Massimo Regoli |
A New Class of Strongly Asymmetric PKA Algorithms: SAA-5. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Cryptogr. ![In: Cryptogr. 3(1), pp. 9, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
23 | Yipin Lu, Shankara Anand, William A. Shirley, Peter Gedeck, Brian P. Kelley, Suzanne Skolnik, Stephane Rodde, Mai Nguyen, Mika K. Lindvall, Weiping Jia |
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(11), pp. 4706-4719, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
23 | Robert C. Harris, Jana Shen |
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(11), pp. 4821-4832, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
23 | Mark A. Watson, Haoyu S. Yu, Art D. Bochevarov |
Generation of Tautomers Using Micro-pKa's. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(6), pp. 2672-2689, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
23 | Swagata Pahari, Lexuan Sun, Emil Alexov |
PKAD: a database of experimentally measured pKa values of ionizable groups in proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Database J. Biol. Databases Curation ![In: Database J. Biol. Databases Curation 2019, pp. baz024, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
23 | Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams |
Open-source QSAR models for pKa prediction using multiple machine learning approaches. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 60:1-60:20, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
23 | Rakesh Parida, Santanab Giri |
Negative influence of pKa on activation energy barrier: A case study for double proton transfer reaction in inorganic acid dimers. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(16), pp. 993-998, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Karel Mena-Ulecia, Fabian Gonzalez-Norambuena, Ariela Vergara Jaque, Horacio Poblete, William Tiznado, Julio Caballero |
Study of the affinity between the protein kinase PKA and homoarginine-containing peptides derived from kemptide: Free energy perturbation (FEP) calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(16), pp. 986-992, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, Stephane Rodde, Stefan Grimme |
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 32(10), pp. 1139-1149, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Samarjeet Prasad, Jing Huang 0004, Qiao Zeng, Bernard R. Brooks |
An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 32(10), pp. 1191-1201, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Ari Hardianto, Fei Liu 0036, Shoba Ranganathan |
Molecular Dynamics Pinpoint the Global Fluorine Effect in Balanoid Binding to PKCε and PKA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 58(2), pp. 511-519, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Haoyu S. Yu, Mark A. Watson, Art D. Bochevarov |
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 58(2), pp. 271-286, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Nshunge Musheshe, Miguel J. Lobo, Martina Schmidt, Manuela Zaccolo |
Targeting FRET-Based Reporters for cAMP and PKA Activity Using AKAP79. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 18(7), pp. 2164, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
23 | Ity Sharma, George A. Kaminski |
Using polarizable POSSIM force field and fuzzy-border continuum solvent model to calculate pKa shifts of protein residues. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 38(2), pp. 65-80, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
23 | Piyanat Meekrathok, Predrag Kukic, Jens Erik Nielsen, Wipa Suginta |
Investigation of Ionization Pattern of the Adjacent Acidic Residues in the DXDXE Motif of GH-18 Chitinases Using Theoretical pKa Calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 57(3), pp. 572-583, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
23 | Zhaoxi Sun, Xiaohui Wang, Jianing Song |
Extensive Assessment of Various Computational Methods for Aspartate's pKa Shift. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 57(7), pp. 1621-1639, July 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
23 | Bilal Habib, Bertrand Cambou, Duane Booher, Christopher Robert Philabaum |
Public key exchange scheme that is addressable (PKA). ![Search on Bibsonomy](Pics/bibsonomy.png) |
CNS ![In: 2017 IEEE Conference on Communications and Network Security, CNS 2017, Las Vegas, NV, USA, October 9-11, 2017, pp. 392-393, 2017, IEEE, 978-1-5386-0683-4. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
23 | Donghai Yu, Ruobing Du, Ji-Chang Xiao |
pKa prediction for acidic phosphorus-containing compounds using multiple linear regression with computational descriptors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 37(18), pp. 1668-1671, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
23 | Annia Galano, Adriana Pérez-González, Romina Castañeda-Arriaga, Leonardo Muñoz-Rugeles, Gabriela Mendoza-Sarmiento, Antonio Romero-Silva, Agustin Ibarra-Escutia, Aida Mariana Rebollar-Zepeda, Jorge Rafael León-Carmona, Manuel Alejandro Hernández-Olivares, Juan Raúl Alvarez-Idaboy |
Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 56(9), pp. 1714-1724, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
23 | Cate Anstöter, Beth A. Caine, Paul L. A. Popelier |
The AIBLHiCoS Method: Predicting Aqueous pKa Values from Gas-Phase Equilibrium Bond Lengths. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 56(3), pp. 471-483, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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23 | Ling Dai, Yunliang Zang, Dingchang Zheng, Ling Xia, Yinglan Gong |
Role of CaMKII and PKA in Early Afterdepolarization of Human Ventricular Myocardium Cell: A Computational Model Study. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Math. Methods Medicine ![In: Comput. Math. Methods Medicine 2016, pp. 4576313:1-4576313:8, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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23 | Lin Wang, Min Zhang, Emil Alexov |
DelPhiPKa web server: predicting pKa of proteins, RNAs and DNAs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 32(4), pp. 614-615, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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23 | Gegham Galstyan, Ernst-Walter Knapp |
Computing pKA values of hexa-aqua transition metal complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 36(2), pp. 69-78, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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23 | Ilkay Sakalli, Ernst-Walter Knapp |
pKA in proteins solving the Poisson-Boltzmann equation with finite elements. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 36(29), pp. 2147-2157, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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23 | Peter Gedeck, Yipin Lu, Suzanne Skolnik, Stephane Rodde, Gavin Dollinger, Weiping Jia, Giuliano Berellini, Riccardo Vianello, Bernard Faller, Franco Lombardo |
Benefit of Retraining pKa Models Studied Using Internally Measured Data. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(7), pp. 1449-1459, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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23 | Robert Fraczkiewicz, Mario Lobell, Andreas H. Göller, Ursula Krenz, Rolf Schoenneis, Robert D. Clark, Alexander Hillisch |
Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(2), pp. 389-397, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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23 | Stanislav Geidl, Radka Svobodová Vareková, Veronika Bendová, Lukás Petrusek, Crina-Maria Ionescu, Zdenek Jurka, Ruben Abagyan, Jaroslav Koca |
How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction? ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(6), pp. 1088-1097, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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23 | Sergio Pérez-Landero, Santiago Sandoval-Motta, Claudia Martínez-Anaya, Runying Yang, Jorge Folch-Mallol, Luz Martínez, Larissa Ventura, Karina Guillén-Navarro, Maximino Aldana-González, Jorge Nieto-Sotelo |
Complex regulation of Hsf1-Skn7 activities by the catalytic subunits of PKA in Saccharomyces cerevisiae: experimental and computational evidences. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Syst. Biol. ![In: BMC Syst. Biol. 9, pp. 42, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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23 | Luigi Accardi, Massimo Regoli |
On a class of strongly asymmetric PKA algorithms. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Math. Cryptol. ![In: J. Math. Cryptol. 9(3), pp. 151-159, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP BibTeX RDF |
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23 | Joseph Kunkel |
A Systems Approach for Dissecting Integrated Signaling Pathways: TORC1 and Ras/PKA Regulation of Glucose Induced Growth Control in S. cerevisiae. ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2015 |
RDF |
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23 | Anthony Michael Slater |
The IUPAC aqueous and non-aqueous experimental pKa data repositories of organic acids and bases. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 28(10), pp. 1031-1034, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
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23 | Kuan Pern Tan, Thanh Binh Nguyen 0007, Siddharth Patel, Raghavan Varadarajan, Mallur S. Madhusudhan |
Depth: a web server to compute depth, cavity sizes, detect potential small-molecule ligand-binding cavities and predict the pKa of ionizable residues in proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 41(Webserver-Issue), pp. 314-321, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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23 | Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Tomás Bouchal, David Sehnal, Ruben Abagyan, Jaroslav Koca |
Predicting pKa values from EEM atomic charges. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 5, pp. 18, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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23 | Kevin Gonzales, Ömür Kayikçi, David G. Schaeffer, Paul M. Magwene |
Modeling mutant phenotypes and oscillatory dynamics in the Saccharomyces cerevisiae cAMP-PKA pathway. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Syst. Biol. ![In: BMC Syst. Biol. 7, pp. 40, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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23 | Shuming Zhang |
A reliable and efficient first principles-based method for predicting pKa values. 4. organic bases. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 33(31), pp. 2469-2482, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Ity Sharma, George A. Kaminski |
Calculating pKa values for substituted phenols and hydration energies for other compounds with the first-order fuzzy-border continuum solvation model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 33(30), pp. 2388-2399, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Grigorios Skolidis, Katja Hansen, Guido Sanguinetti, Matthias Rupp |
Multi-task learning for pKa prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 26(7), pp. 883-895, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Daniela Besozzi, Paolo Cazzaniga, Dario Pescini, Giancarlo Mauri, Sonia Colombo, Enzo Martegani |
The role of feedback control mechanisms on the establishment of oscillatory regimes in the Ras/cAMP/PKA pathway in S. cerevisiae. ![Search on Bibsonomy](Pics/bibsonomy.png) |
EURASIP J. Bioinform. Syst. Biol. ![In: EURASIP J. Bioinform. Syst. Biol. 2012, pp. 10, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Rodrigo Freire Oliveira, Myungsook Kim, Kim T. Blackwell |
Subcellular Location of PKA Controls Striatal Plasticity: Stochastic Simulations in Spiny Dendrites. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 8(2), 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Jochen Heil, Roland Frach, Stefan M. Kast |
Non-continuum solvation using the EC-RISM method applied to predict tautomer ratios, pKa and enantiomeric excess of alkylation reactions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 4(S-1), pp. 9, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Robert Körner, Iurii Sushko, Sergii Novotarskyi, Igor V. Tetko |
In silico pKa prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 4(S-1), pp. 55, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
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23 | Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Michal Kudera, David Sehnal, Tomás Bouchal, Ruben Abagyan, Heinrich J. Huber, Jaroslav Koca |
Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 51(8), pp. 1795-1806, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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23 | John C. Shelley, David Calkins, Arron P. Sullivan |
Comments on the Article "Evaluation of pKa Estimation Methods on 211 Druglike Compounds". ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 51(1), pp. 102-104, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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23 | Haiying Yu, Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann |
Prediction of the Dissociation Constant pKa of Organic Acids from Local Molecular Parameters of Their Electronic Ground State. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 51(9), pp. 2336-2344, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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23 | Tingjun Hou, Youyong Li, Wei Wang 0051 |
Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 27(13), pp. 1814-1821, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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23 | Ondrej Skrehota, Radka Svobodová Vareková, Stanislav Geidl, Michal Kudera, David Sehnal, Crina-Maria Ionescu, Jaroslav Koca |
QSPR designer - a program to design and evaluate QSPR models. Case study on pKa prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3(S-1), pp. 16, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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23 | Tim ten Brink, Thomas E. Exner |
pKa based protonation states and microspecies for protein-ligand docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 24(11), pp. 935-942, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
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23 | Anup Parikh, Eryong Huang, Christopher Dinh, Blaz Zupan, Adam Kuspa, Devika Subramanian, Gad Shaulsky |
New components of the Dictyostelium PKA pathway revealed by Bayesian analysis of expression data. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Bioinform. ![In: BMC Bioinform. 11, pp. 163, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
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23 | John Manchester, Grant Walkup, Olga Rivin, Zhiping You |
Evaluation of pKa Estimation Methods on 211 Druglike Compounds. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 50(4), pp. 565-571, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
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23 | Haiying Yu, Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann |
Comparative Analysis of QSAR Models for Predicting pKa of Organic Oxygen Acids and Nitrogen Bases from Molecular Structure. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 50(11), pp. 1949-1960, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
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23 | Tim ten Brink, Thomas E. Exner |
A combined combinatorial and pKa-based approach to ligand protonation states. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 2(S-1), pp. 43, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
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23 | Cornelis Matijssen |
A comparative study of in silico prediction of pKa. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 2(S-1), pp. 37, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
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23 | Yifan Song, Junjun Mao, Marilyn R. Gunner |
MCCE2: Improving protein pKa calculations with extensive side chain rotamer sampling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 30(14), pp. 2231-2247, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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23 | Chiara Balestrieri, Lilia Alberghina, Marco Vanoni, Ferdinando Chiaradonna |
Data recovery and integration from public databases uncovers transformation-specific transcriptional downregulation of cAMP-PKA pathway-encoding genes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Bioinform. ![In: BMC Bioinform. 10(S-12), pp. 1, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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23 | Chenzhong Liao, Marc C. Nicklaus |
Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 49(12), pp. 2801-2812, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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23 | Adam C. Lee, Gordon M. Crippen |
Predicting pKa. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 49(9), pp. 2013-2033, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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23 | Alex P. Harding, David C. Wedge, Paul L. A. Popelier |
pKa Prediction from "Quantum Chemical Topology" Descriptors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 49(8), pp. 1914-1924, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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23 | Federica Ciocchetta, Adam Duguid, Maria Luisa Guerriero |
A compartmental model of the cAMP/PKA/MAPK pathway in Bio-PEPA ![Search on Bibsonomy](Pics/bibsonomy.png) |
MeCBIC ![In: Proceedings Third Workshop on Membrane Computing and Biologically Inspired Process Calculi, MeCBIC 2009, Bologna, Italy, 5th September 2009., pp. 71-90, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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23 | Christopher M. Frenz, Philippe P. Lefebvre |
Presence of pKa Perturbations Among Homeodomain Residues Facilitates DNA Binding. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIOCOMP ![In: International Conference on Bioinformatics & Computational Biology, BIOCOMP 2009, July 13-16, 2009, Las Vegas Nevada, USA, 2 Volumes, pp. 198-203, 2009, CSREA Press, 1-60132-095-7. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP BibTeX RDF |
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23 | A. K. McIver, Carlos Gonzalía, E. Cohen, Carroll C. Morgan |
Using probabilistic Kleene algebra pKA for protocol verification. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Log. Algebraic Methods Program. ![In: J. Log. Algebraic Methods Program. 76(1), pp. 90-111, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
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23 | Gernot Kieseritzky, Ernst-Walter Knapp |
Improved pKa prediction: Combining empirical and semimicroscopic methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 29(15), pp. 2575-2581, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
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23 | Adam C. Lee, Jing-yu Yu, Gordon M. Crippen |
pKa Prediction of Monoprotic Small Molecules the SMARTS Way. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(10), pp. 2042-2053, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
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23 | Stephen P. Jelfs, Peter Ertl, Paul Selzer |
Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 47(2), pp. 450-459, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
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