|
|
Venues (Conferences, Journals, ...)
|
|
GrowBag graphs for keyword ? (Num. hits/coverage)
Group by:
The graphs summarize 690 occurrences of 454 keywords
|
|
|
Results
Found 2808 publication records. Showing 2808 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
12 | Louis Bellmann, Patrick Penner, Matthias Rarey |
Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(11), pp. 4625-4635, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Wanlei Wei, Jiaying Luo, Jérôme Waldispühl, Nicolas Moitessier |
Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(6), pp. 2941-2951, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Shun Zhu |
Validation of the Generalized Force Fields GAFF, CGenFF, OPLS-AA, and PRODRGFF by Testing Against Experimental Osmotic Coefficient Data for Small Drug-Like Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(10), pp. 4239-4247, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Maxwell Fulford, Matteo Salvalaglio, Carla Molteni |
DeepIce: A Deep Neural Network Approach To Identify Ice and Water Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(5), pp. 2141-2149, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Francesca Vasile, Guido Tiana |
Determination of Structural Ensembles of Flexible Molecules in Solution from NMR Data Undergoing Spin Diffusion. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(6), pp. 2973-2979, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Chen-Yang Jia, Fan Wang, Ge-Fei Hao, Guangfu Yang |
InsectiPAD: A Web Tool Dedicated to Exploring Physicochemical Properties and Evaluating Insecticide-Likeness of Small Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(2), pp. 630-635, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Zhou Yin |
Mechanism of Small Molecules Inhibiting Activator Protein-1 DNA Binding Probed with Induced Fit Docking and Metadynamics Simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(12), pp. 5276-5280, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Henderson James Cleaves II, Christopher J. Butch, Pieter Buys Burger, Jay Goodwin, Markus Meringer |
One Among Millions: The Chemical Space of Nucleic Acid-Like Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(10), pp. 4266-4277, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Suqing Zheng, Wenping Chang, Wenxin Liu, Guang Liang, Yong Xu, Fu Lin |
Computational Prediction of a New ADMET Endpoint for Small Molecules: Anticommensal Effect on Human Gut Microbiota. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(3), pp. 1215-1220, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Callum J. Dickson, Viktor Hornak, Dallas Bednarczyk, José S. Duca |
Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(1), pp. 236-244, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Stephanie A. Brocke, Alexandra Degen, Alexander D. MacKerell Jr., Bercem Dutagaci, Michael Feig |
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(3), pp. 1147-1162, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Andrei L. Lomize, Irina D. Pogozheva |
Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(7), pp. 3198-3213, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken |
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(10), pp. 4195-4208, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Yecheng Li, Chongze Zhao, Jianhua Zhang, Shiyang Zhai, Boyan Wei, Ling Wang 0008 |
HybridMolDB: A Manually Curated Database Dedicated to Hybrid Molecules for Chemical Biology and Drug Discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(10), pp. 4063-4069, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Joel Wahl, Martin Smiesko |
Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(2), pp. 754-765, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | David Schaller 0002, Szymon Pach, Gerhard Wolber |
PyRod: Tracing Water Molecules in Molecular Dynamics Simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(6), pp. 2818-2829, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Minh N. Nguyen, Neeladri Sen, Meiyin Lin, Thomas Leonard Joseph, Candida Vaz, Vivek Tanavde, Luke Way, Ted R. Hupp, Chandra S. Verma 0001, M. S. Madhusudhan 0001 |
Discovering Putative Protein Targets of Small Molecules: A Study of the p53 Activator Nutlin. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(4), pp. 1529-1546, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Peter Benner, Venera Khoromskaia, Boris N. Khoromskij, Chao Yang |
Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Phys. ![In: J. Comput. Phys. 382, pp. 221-239, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Jingwei Qu, Penghui Sun, Xin Li, Bei Wang 0004, Xiaoqing Lu, Zhi Tang 0001, Chengcui Zhang |
A Retrieval System of Medicine Molecules Based on Graph Similarity. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Multim. ![In: IEEE Multim. 26(4), pp. 17-27, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | José Garcia-Pelaez, David Rodriguez, Roberto Medina-Molina, Gerardo Garcia-Rivas, Carlos Jerjes-Sánchez, Victor Trevino |
PubTerm: a web tool for organizing, annotating and curating genes, diseases, molecules and other concepts from PubMed records. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Database J. Biol. Databases Curation ![In: Database J. Biol. Databases Curation 2019, pp. bay137, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Enyu Dai, Hao Zhang, Xu Zhou, Qian Song, Di Li, Lei Luo, Xinyu Xu, Wei Jiang 0023, Hong Ling |
MycoResistance: a curated resource of drug resistance molecules in Mycobacteria. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Database J. Biol. Databases Curation ![In: Database J. Biol. Databases Curation 2019, pp. baz074, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Jakub Juracka, Martin Srejber, Michaela Melikova, Václav Bazgier, Karel Berka |
MolMeDB: Molecules on Membranes Database. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Database J. Biol. Databases Curation ![In: Database J. Biol. Databases Curation 2019, pp. baz078, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Liudmila Uvarova, Sergey Babarin |
Statistical Distributions of Physical Characteristics of Molecules with Casimir Force in the Transfer of Admixtures in Nanoscale Volumes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Appl. Math. ![In: J. Appl. Math. 2019, pp. 7915780:1-7915780:8, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Antoine Daina, Olivier Michielin, Vincent Zoete |
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 47(Webserver-Issue), pp. W357-W364, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Zhaojun Li, Xutong Li, Xiaohong Liu 0002, Zunyun Fu, Zhaoping Xiong, Xiaolong Wu, Xiaoqin Tan, Jihui Zhao, Feisheng Zhong, Xiaozhe Wan, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng |
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 35(24), pp. 5354-5356, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Javier Delgado, Leandro G. Radusky, Damiano Cianferoni, Luis Serrano |
FoldX 5.0: working with RNA, small molecules and a new graphical interface. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 35(20), pp. 4168-4169, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Baraa Orabi, Emre Erhan, Brian McConeghy, Stanislav V. Volik, Stephane Le Bihan, Robert Bell, Colin C. Collins, Cédric Chauve, Faraz Hach |
Alignment-free clustering of UMI tagged DNA molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 35(11), pp. 1829-1836, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Vahid Jamali, Nariman Farsad, Robert Schober, Andrea Goldsmith |
Diffusive Molecular Communications with Reactive Molecules: Channel Modeling and Signal Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1902.11152, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | John Armitage, Leszek J. Spalek, Malgorzata Nguyen, Mark Nikolka, Ian E. Jacobs, Lorena Marañón, Iyad Nasrallah, Guillaume Schweicher, Ivan Dimov, Dimitrios Simatos, Iain McCulloch, Christian B. Nielsen, Gareth John Conduit, Henning Sirringhaus |
Fragment Graphical Variational AutoEncoding for Screening Molecules with Small Data. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1910.13325, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Lixue Cheng, Matthew Welborn, Thomas F. Miller III |
A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1901.03309, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | John Bradshaw, Brooks Paige, Matt J. Kusner, Marwin H. S. Segler, José Miguel Hernández-Lobato |
A Model to Search for Synthesizable Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1906.05221, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Chu Qin, Ying Tan, Shangying Chen, Xian Zeng, Xingxing Qi, Tian Jin, Huan Shi, Yiwei Wan, Yu Chen, Jingfeng Li, Weidong He, Yali Wang, Peng Zhang 0033, Feng Zhu 0004, Hongping Zhao, Yu Yang Jiang, Yuzong Chen |
Clustering Bioactive Molecules in 3D Chemical Space with Unsupervised Deep Learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1902.03429, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Roy R. Lederman, Joakim Andén, Amit Singer |
Hyper-Molecules: on the Representation and Recovery of Dynamical Structures, with Application to Flexible Macro-Molecular Structures in Cryo-EM. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1907.01589, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Ksenia Korovina, Sailun Xu, Kirthevasan Kandasamy, Willie Neiswanger, Barnabás Póczos, Jeff Schneider 0001, Eric P. Xing |
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1908.01425, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Benjamín Sánchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Richard C. Gerkin, Alán Aspuru-Guzik, Alexander B. Wiltschko |
Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1910.10685, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Jaak Simm, Adam Arany, Edward De Brouwer, Yves Moreau |
Graph Informer Networks for Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1907.11318, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Niklas W. A. Gebauer, Michael Gastegger, Kristof T. Schütt |
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1906.00957, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Rafael Reisenhofer, Emily J. King |
Edge, Ridge, and Blob Detection with Symmetric Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1901.09723, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Gabi Pragier, Yoel Shkolnisky |
A common lines approach for ab-initio modeling of cyclically-symmetric molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1901.10888, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Wengong Jin, Regina Barzilay, Tommi S. Jaakkola |
Multi-resolution Autoregressive Graph-to-Graph Translation for Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1907.11223, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | S. Vijayakumar, P. Manogar, S. Prabhu, M. Pugazhenthi, P. K. Praseetha |
A pharmacoinformatic approach on Cannabinoid receptor 2 (CB2) and different small molecules: Homology modelling, molecular docking, MD simulations, drug designing and ADME analysis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 78, pp. 95-107, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Vishan Kumar Gupta, Prashant Singh Rana |
Toxicity prediction of small drug molecules of androgen receptor using multilevel ensemble model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Bioinform. Comput. Biol. ![In: J. Bioinform. Comput. Biol. 17(5), pp. 1950033:1-1950033:26, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Themis Matsoukas |
Thermodynamics Beyond Molecules: Statistical Thermodynamics of Probability Distributions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Entropy ![In: Entropy 21(9), pp. 890, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Mohan S. Rao, Rishi Gupta, Michael J. Liguori, Mufeng Hu, Xin Huang, Srinivasa R. Mantena, Scott W. Mittelstadt, Eric A. G. Blomme, Terry R. Van Vleet |
Novel Computational Approach to Predict Off-Target Interactions for Small Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Frontiers Big Data ![In: Frontiers Big Data 2, pp. 25, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Hyerim Lee, Yeomin Kim, Areum Yu, Dasol Jin, Ara Jo, Youngmi Lee, Myung Hwa Kim, Chongmok Lee |
An Efficient Electrochemical Sensor Driven by Hierarchical Hetero-Nanostructures Consisting of RuO2 Nanorods on WO3 Nanofibers for Detecting Biologically Relevant Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 19(15), pp. 3295, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Nikola Baran, Hrvoje Gebavi, Lara Mikac, Davor Ristic, Marijan Gotic, Kamran Ali Syed, Mile Ivanda |
Sensing Properties of Oxidized Nanostructured Silicon Surface on Vaporized Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 19(1), pp. 119, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Baraa J. Alyamani, Omar A. Alsager, Mohammed Zourob |
Label-Free Fluorescent Aptasensor for Small Targets via Displacement of Groove Bound Curcumin Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 19(19), pp. 4181, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Christopher Rose, Ismat Saira Mian, Mustafa Ozmen |
Capacity Bounds on Point-to-Point Communication Using Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Proc. IEEE ![In: Proc. IEEE 107(7), pp. 1342-1355, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Yongcui Wang, Shilong Chen, Luonan Chen, Yong Wang 0001 |
Associating lncRNAs with small molecules via bilevel optimization reveals cancer-related lncRNAs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 15(12), 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Eric W. Bell, Yang Zhang 0040 |
DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 40:1-40:9, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Patrick J. Ropp, Jesse C. Kaminsky, Sara Yablonski, Jacob D. Durrant |
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 14:1-14:8, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Rafael Reisenhofer, Emily J. King |
Edge, Ridge, and Blob Detection with Symmetric Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SIAM J. Imaging Sci. ![In: SIAM J. Imaging Sci. 12(4), pp. 1585-1626, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Ahmed Abdeen Hamed, Agata Leszczynska, Mark Schreiber |
MolecRank: A Specificity-Based Network Analysis Algorithm - Ranking Therapeutic Molecules in the Bibliome. ![Search on Bibsonomy](Pics/bibsonomy.png) |
AMLTA ![In: The International Conference on Advanced Machine Learning Technologies and Applications, AMLTA 2019, Cairo, Egypt, 28-30 March, 2919., pp. 159-168, 2019, Springer, 978-3-030-14117-2. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Francesca Vitali, Joanne Berghout, Jung-wei Fan, Jianrong Li, Qike Li, Haiquan Li, Yves A. Lussier |
Precision drug repurposing via convergent eQTL-based molecules and pathway targeting independent disease-associated polymorphisms. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PSB ![In: Biocomputing 2019: Proceedings of the Pacific Symposium, The Big Island of Hawaii, Hawaii, USA, January 3-7, 2019, pp. 308-319, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Jeffrey Abbott, Tianyang Ye, Hongkun Park, Donhee Ham |
CMOS interface with biological molecules and cells : Invited review paper. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ESSDERC ![In: 49th European Solid-State Device Research Conference, ESSDERC 2019, Cracow, Poland, September 23-26, 2019, pp. 13-16, 2019, IEEE, 978-1-7281-1539-9. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Yuri Ardesi, Luca Gnoli, Mariagrazia Graziano, Gianluca Piccinini |
Bistable Propagation of Monostable Molecules in Molecular Field-Coupled Nanocomputing. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PRIME ![In: 15th Conference on Ph.D. Research in Microelectronics and Electronics, PRIME 2019, Lausanne, Switzerland, July 15-18, 2019, pp. 225-228, 2019, IEEE, 978-1-7281-3549-6. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Enes Algul, Richard C. Wilson 0001 |
A Database and Evaluation for Classification of RNA Molecules Using Graph Methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
GbRPR ![In: Graph-Based Representations in Pattern Recognition - 12th IAPR-TC-15 International Workshop, GbRPR 2019, Tours, France, June 19-21, 2019, Proceedings, pp. 78-87, 2019, Springer, 978-3-030-20080-0. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Jaroslaw Mysliwiec |
Photoisomerization and Light Amplification Processes in Push-Pull Molecules Based Systems. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICTON ![In: 21st International Conference on Transparent Optical Networks, ICTON 2019, Angers, France, July 9-13, 2019, pp. 1, 2019, IEEE, 978-1-7281-2779-8. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Reza Nouri, Zifan Tang, Weihua Guan |
Calibration-Free Electrical Quantification of Single Molecules Using Nanopore Digital Counting. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE SENSORS ![In: 2019 IEEE SENSORS, Montreal, QC, Canada, October 27-30, 2019, pp. 1-4, 2019, IEEE, 978-1-7281-1634-1. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Mithun Mukherjee 0001, H. Birkan Yilmaz 0001, Bishanka Brata Bhowmik, Jaime Lloret 0001, Yunrong Lv |
Synchronization for Diffusion-Based Molecular Communication Systems via Faster Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICC ![In: 2019 IEEE International Conference on Communications, ICC 2019, Shanghai, China, May 20-24, 2019, pp. 1-5, 2019, IEEE, 978-1-5386-8088-9. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | John L. Markley, Hesam Dashti, Jonathan R. Wedell, William M. Westler, Eldon L. Ulrich, Hamid R. Eghbalnia |
Approach to Improving the Quality of Open Data in the Universe of Small Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIS (Workshops) ![In: Business Information Systems Workshops - BIS 2019 International Workshops, Seville, Spain, June 26-28, 2019, Revised Papers, pp. 519-530, 2019, Springer, 978-3-030-36690-2. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Jeffrey Abbott, Tianyang Ye, Hongkun Park, Donhee Ham |
CMOS interface with biological molecules and cells. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ESSCIRC ![In: 45th IEEE European Solid State Circuits Conference, ESSCIRC 2019, Cracow, Poland, September 23-26, 2019, pp. 13-16, 2019, IEEE, 978-1-7281-1550-4. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Bowen Liu, Yusong Liu, Yiyang Luo, Tao Liu, Xiahui Tang, Deming Liu, Perry Ping Shum, Qizhen Sun |
Dual-wavelength Mode-locked Fiber Laser Emitting Soliton Singlets and Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
OECC/PSC ![In: 2019 24th OptoElectronics and Communications Conference (OECC) and 2019 International Conference on Photonics in Switching and Computing (PSC), Fukuoka, Japan, July 7-11, 2019, pp. 1-3, 2019, IEEE, 978-4-88552-321-2. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Ahmed Ewais, Olga De Troyer, Mumen Abu Arra, Mohammed Romi |
A Study on Female Students' Attitude Towards the Use of Augmented Reality to Learn Atoms and Molecules Reactions in Palestinian Schools. ![Search on Bibsonomy](Pics/bibsonomy.png) |
AVR (2) ![In: Augmented Reality, Virtual Reality, and Computer Graphics - 6th International Conference, AVR 2019, Santa Maria al Bagno, Italy, June 24-27, 2019, Proceedings, Part II, pp. 295-309, 2019, Springer, 978-3-030-25998-3. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Takahisa Tanaka, K. Tabuchi, Kohei Tatehora, Yohsuke Shiiki, S. Nakagawa, Tsunaki Takahashi, R. Shimizu, Hiroki Ishikuro, Tadahiro Kuroda, T. Yanagida, Ken Uchida |
Low-Power and ppm-Level Detection of Gas Molecules by Integrated Metal Nanosheets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
VLSI Circuits ![In: 2019 Symposium on VLSI Circuits, Kyoto, Japan, June 9-14, 2019, pp. 158-, 2019, IEEE, 978-4-86348-720-8. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Andrea Lombardi, Federico Palazzetti, Vincenzo Aquilanti |
Molecular Dynamics of Chiral Molecules in Hyperspherical Coordinates. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCSA (6) ![In: Computational Science and Its Applications - ICCSA 2019 - 19th International Conference, Saint Petersburg, Russia, July 1-4, 2019, Proceedings, Part VI, pp. 413-427, 2019, Springer, 978-3-030-24310-4. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Shengchao Liu, Mehmet Furkan Demirel, Yingyu Liang |
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, NeurIPS 2019, December 8-14, 2019, Vancouver, BC, Canada., pp. 8464-8476, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Niklas W. A. Gebauer, Michael Gastegger, Kristof Schütt |
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, NeurIPS 2019, December 8-14, 2019, Vancouver, BC, Canada., pp. 7564-7576, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | John Bradshaw, Brooks Paige, Matt J. Kusner, Marwin H. S. Segler, José Miguel Hernández-Lobato |
A Model to Search for Synthesizable Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, NeurIPS 2019, December 8-14, 2019, Vancouver, BC, Canada., pp. 7935-7947, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Gaurav Sharma, Ajay Singh 0001 |
On the Distribution of Molecules for Diffusion Based Molecular Communication System. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCCNT ![In: 10th International Conference on Computing, Communication and Networking Technologies, ICCCNT 2019, Kanpur, India, July 6-8, 2019, pp. 1-6, 2019, IEEE, 978-1-5386-5906-9. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Alain B. Tchagang, Julio J. Valdés |
Discrete Fourier Transform Improves the Prediction of the Electronic Properties of Molecules in Quantum Machine Learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CCECE ![In: 2019 IEEE Canadian Conference of Electrical and Computer Engineering, CCECE 2019, Edmonton, AB, Canada, May 5-8, 2019, pp. 1-4, 2019, IEEE, 978-1-7281-0319-8. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Jennifer Hemmerich, Ece Asilar, Gerhard F. Ecker |
Conformational Oversampling as Data Augmentation for Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICANN (Workshop) ![In: Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings - Workshop and Special Sessions, pp. 788-792, 2019, Springer, 978-3-030-30492-8. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Alain B. Tchagang, Julio J. Valdés |
Prediction of the Atomization Energy of Molecules Using Coulomb Matrix and Atomic Composition in a Bayesian Regularized Neural Networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICANN (Workshop) ![In: Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings - Workshop and Special Sessions, pp. 793-803, 2019, Springer, 978-3-030-30492-8. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Julio J. Valdés, Alain B. Tchagang |
Characterization of Quantum Derived Electronic Properties of Molecules: A Computational Intelligence Approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICANN (Workshop) ![In: Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings - Workshop and Special Sessions, pp. 771-782, 2019, Springer, 978-3-030-30492-8. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | John Bradshaw, Matt J. Kusner, Brooks Paige, Marwin H. S. Segler, José Miguel Hernández-Lobato |
Generating Molecules via Chemical Reactions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
DGS@ICLR ![In: Deep Generative Models for Highly Structured Data, ICLR 2019 Workshop, New Orleans, Louisiana, United States, May 6, 2019, 2019, OpenReview.net. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
12 | Amanda Kyung, Yuna Lee, Ho Jeong Kwon |
Study on the Nano-scaled Molecules Used in Treatment for Melanoma Using Bio-chemical and Computational Analysis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
UEMCON ![In: 10th IEEE Annual Ubiquitous Computing, Electronics & Mobile Communication Conference, UEMCON 2019, New York City, NY, USA, October 10-12, 2019, pp. 862-866, 2019, IEEE, 978-1-7281-3885-5. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
12 | Adrien Saint-Sardos |
Microfluidique pour la mesure de bio-molecules secretees. (Microfluidics for measuring secreted biomolecules). ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2019 |
RDF |
|
12 | Lei Zhang 0040, Haitao Mao, Linlin Liu, Jian Du 0003, Rafiqul Gani |
A machine learning based computer-aided molecular design/screening methodology for fragrance molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Chem. Eng. ![In: Comput. Chem. Eng. 115, pp. 295-308, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | V. I. Azarov, Alexander Kramida, M. Ya. Vokhmentsev |
IDEN2 - A program for visual identification of spectral lines and energy levels in optical spectra of atoms and simple molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 225, pp. 149-153, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | David Ferro-Costas, M. Natália Dias Soeiro Cordeiro, Donald G. Truhlar, Antonio Fernández-Ramos |
Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 232, pp. 190-205, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Luigi Delle Site |
Grand Canonical adaptive resolution simulation for molecules with electrons: A theoretical framework based on physical consistency. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 222, pp. 94-101, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Deep Raj Meena, Shridhar R. Gadre, P. Balanarayan |
PAREMD: A parallel program for the evaluation of momentum space properties of atoms and molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 224, pp. 299-310, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Simon J. L. Billinge, Phillip M. Duxbury, Douglas Soares Gonçalves, Carlile Lavor, Antonio Mucherino |
Recent results on assigned and unassigned distance geometry with applications to protein molecules and nanostructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Ann. Oper. Res. ![In: Ann. Oper. Res. 271(1), pp. 161-203, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Yan Li 0013, Kristofer G. Reyes, Jorge Vazquez-Anderson, Yingfei Wang, Lydia M. Contreras, Warren B. Powell |
A Knowledge Gradient Policy for Sequencing Experiments to Identify the Structure of RNA Molecules Using a Sparse Additive Belief Model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
INFORMS J. Comput. ![In: INFORMS J. Comput. 30(4), pp. 750-767, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Vahid Jamali, Nariman Farsad, Robert Schober, Andrea Goldsmith |
Diffusive Molecular Communications With Reactive Molecules: Channel Modeling and Signal Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Trans. Mol. Biol. Multi Scale Commun. ![In: IEEE Trans. Mol. Biol. Multi Scale Commun. 4(3), pp. 171-188, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Deyan Raychev, Gotthard Seifert, Jens-Uwe Sommer, Olga Guskova |
A comparative analysis of symmetric diketopyrrolopyrrole-cored small conjugated molecules with aromatic flanks: From geometry to charge transport. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(30), pp. 2526-2538, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Yunwen Tao, Wenli Zou, Dieter Cremer, Elfi Kraka |
Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(6), pp. 293-306, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Mohamed F. Shibl, Salvador Moncho, Edward N. Brothers |
What Happens Without Nickel? Cyclization Reactions of Ethylene with Ethanedithial and Related Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(18), pp. 1158-1167, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Beibei An, Keke Wen, Songyan Feng, Xiao Pan, Wenpeng Wu, Xugeng Guo, Jinglai Zhang 0001 |
Theoretical insights into the 1D-charge transport properties in a series of hexaazatrinaphthylene-based discotic molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(13), pp. 773-779, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Arpita Varadwaj, Pradeep R. Varadwaj, Koichi Yamashita |
Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like! ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(7), pp. 343-350, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Mojtaba Alipour |
Dipole moments of molecules with multi-reference character from optimally tuned range-separated density functional theory. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(20), pp. 1508-1516, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Antonio Bauzá, Saikat Kumar Seth, Antonio Frontera |
Molecular electrostatic potential and "atoms-in-molecules" analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(9), pp. 458-463, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Debdutta Chakraborty, Pratim Kumar Chattaraj |
Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(10), pp. 535-545, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | F. N. N. Pansini, F. A. L. de Souza, C. T. Campos |
Molecules under external electric field: On the changes in the electronic structure and validity limits of the theoretical predictions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(20), pp. 1561-1567, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Luis Alvarez-Thon, Liliana Mammino |
Information on Gas-Phase Diatomic Molecules from Magnetically Induced Current Densities. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 39(1), pp. 52-60, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Naoki Sato |
"Life-bearing molecules" versus "life-embodying systems": Two contrasting views on the what-is-life (WIL) problem persisting from the early days of molecular biology to the post-genomic cell- and organism-level biology. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Biosyst. ![In: Biosyst. 167, pp. 24-32, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Maria Kadukova, Sergei Grudinin |
Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 32(1), pp. 151-162, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | 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 |
|
12 | Matthew Habgood |
Conformational ensemble comparison for small molecules in drug discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 32(8), pp. 841-852, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
12 | Shaun D. Jackman, Lauren Coombe, Justin Chu, René L. Warren, Benjamin P. Vandervalk, Sarah Yeo, Zhuyi Xue, Hamid Mohamadi, Jörg Bohlmann, Steven J. M. Jones, Inanç Birol |
Tigmint: correcting assembly errors using linked reads from large molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Bioinform. ![In: BMC Bioinform. 19(1), pp. 393:1-393:10, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
|
|