Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
154 | Kirandeep Kaur, Tanaji T. Talele |
Structure-based CoMFA and CoMSIA study of indolinone inhibitors of PDK1. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(1), pp. 25-36, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
3D QSAR, CoMFA, CoMSIA, Indolinone, PDK1 |
80 | Phornphimon Maitarad, Sumalee Kamchonwongpaisan, Jarunee Vanichtanankul, Tirayut Vilaivan, Yongyuth Yuthavong, Supa Hannongbua |
Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(4), pp. 241-252, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Dihydrofolate reductase, Cycloguanil, WR99210, CoMFA, Quantum chemical calculations |
74 | F. A. Pasha, Muhammad Muddassar, So Ha Lee, Taebo Sim, Jung-Mi Hah, Seung Joo Cho |
In silico Ligand-Based (LB) and Docking-Based (DB) 3D-QSAR Study of Potent Chk2 Inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
FBIT ![In: Frontiers in the Convergence of Bioscience and Information Technologies 2007, FBIT 2007, Jeju Island, Korea, October 11-13, 2007, pp. 38-42, 2007, IEEE Computer Society, 978-0-7695-2999-8. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
55 | Sivaprakasam Prasanna, Pankaj R. Daga, Aihua Xie, Robert J. Doerksen |
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(2), pp. 113-127, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
3D-QSAR, CoMFA, CoMSIA, GSK-3, Maleimides, Docking |
49 | Yubin Ji, Ran Tian, Wenhan Lin |
QSAR and Molecular Docking Study of a Series of Combretastatin Analogues Tubulin Inhibitors. ![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. 436-444, 2007, Springer, 978-3-540-74770-3. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
48 | Dhara M. Chhatbar, Udit J. Chaube, Vivek K. Vyas, Hardik G. Bhatt |
CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 80, pp. 351-363, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
25 | Muhammad Muddassar, F. A. Pasha, Hwan Won Chung, Kyung Ho Yoo, Chang Hyun Oh, Seung Joo Cho |
The Receptor Guided 3D-QSAR Method is a Powerful Tool to Design More Potent IGF-1R Inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
FBIT ![In: Frontiers in the Convergence of Bioscience and Information Technologies 2007, FBIT 2007, Jeju Island, Korea, October 11-13, 2007, pp. 48-54, 2007, IEEE Computer Society, 978-0-7695-2999-8. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
24 | Rino Ragno |
www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices - the Py-CoMFA web application as tool to build models from pre-aligned datasets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 33(9), pp. 855-864, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
24 | M. C. Sharma, S. Jain, R. Sharma |
Trifluorophenyl-based inhibitors of dipeptidyl peptidase-IV as antidiabetic agents: 3D-QSAR COMFA, CoMSIA methodologies. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Netw. Model. Anal. Health Informatics Bioinform. ![In: Netw. Model. Anal. Health Informatics Bioinform. 7(1), pp. 1, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
24 | Shuqun Zhang, Zichun Lin, Yinglan Pu, Yunqin Zhang, Li Zhang, Zhili Zuo |
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 67, pp. 38-47, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
24 | T. K. Shameera Ahamed, K. Muraleedharan |
A ligand-based comparative molecular field analysis (CoMFA) and homology model based molecular docking studies on 3′, 4′-dihydroxyflavones as rat 5-lipoxygenase inhibitors: Design of new inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 71, pp. 188-200, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
24 | Hamidreza Ghafouri, Mohsen Ranjbar, Amirhossein Sakhteman |
3D-QSAR studies of some reversible Acetyl cholinesterase inhibitors based on CoMFA and ligand protein interaction fingerprints using PC-LS-SVM and PLS-LS-SVM. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 69, pp. 19-27, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
24 | Shravan Kumar Gunda, Manasa Reddy Gummi, Jaheer Mohmed, Ayub Shaik |
3D-QSAR (CoMFA, CoMSIA) and molecular docking studies of natural flavonoid derivatives to explore structural requirements for MCF-7 cell line inhibition. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Int. J. Comput. Biol. Drug Des. ![In: Int. J. Comput. Biol. Drug Des. 10(3), pp. 264-285, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
24 | Neelamma Mantri, Jaheer Mohmed, Seshagiri Bandi, G. H. Anuradha, Mounica Bandela |
CoMFA, CoMSIA analysis of 4-[5-(4-Fluoro-benzyl-1H-pyrazol-3-yl]-pyridine derivatives as CYP3A4 inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Int. J. Comput. Biol. Drug Des. ![In: Int. J. Comput. Biol. Drug Des. 10(3), pp. 225-236, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
24 | Sathya Babu, Honglae Sohn, Thirumurthy Madhavan |
Computational Analysis of CRTh2 receptor antagonist: A Ligand-based CoMFA and CoMSIA approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 56, pp. 109-121, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
24 | Bernd Wendt, Richard D. Cramer |
Challenging the gold standard for 3D-QSAR: template CoMFA versus X-ray alignment. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 28(8), pp. 803-824, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
24 | Richard D. Cramer, Bernd Wendt |
Template CoMFA: The 3D-QSAR Grail? ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 54(2), pp. 660-671, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
24 | Richard D. Cramer |
Template CoMFA Applied to 116 Biological Targets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 54(7), pp. 2147-2156, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
24 | Richard D. Cramer |
R-group template CoMFA combines benefits of "ad hoc" and topomer alignments using 3D-QSAR for lead optimization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 26(7), pp. 805-819, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
24 | Rohith Kumar Anugolu, Shravan Kumar Gunda, Mahmood Shaik |
3D QSAR CoMFA/CoMSIA and docking studies on azole dione derivatives, as anti-cancer inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Int. J. Comput. Biol. Drug Des. ![In: Int. J. Comput. Biol. Drug Des. 5(2), pp. 111-136, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
24 | Bastikar Virupaksha, Gupte Alpana |
CoMFA QSAR models of camptothecin analogues based on the distinctive SAR features of combined ABC, CD and E ring substitutions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Medicine ![In: Comput. Biol. Medicine 42(9), pp. 890-897, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
24 | Senthil Natesan, Tiansheng Wang, Viera Lukacova, Vladimir Bartus, Akash Khandelwal, Stefan Balaz |
Rigorous Treatment of Multispecies Multimode Ligand-Receptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 51(5), pp. 1132-1150, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
24 | Zhaoyan Hou, Yuhong Xiang, Yanbo Wei, Caihong Zhao, Zhuoyong Zhang |
3D-QSAR and 3D-QSSR studies on a series of HDAC2 inhibitors using Topomer CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMEI ![In: 4th International Conference on Biomedical Engineering and Informatics, BMEI 2011, Shanghai, China, October 15-17, 2011, pp. 1811-1814, 2011, IEEE, 978-1-4244-9351-7. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
24 | Lívia Barros Salum, Napoleão Fonseca Valadares |
Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 24(10), pp. 803-817, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
|
24 | Prashant Revan Murumkar, Vishal Prakash Zambre, Mange Ram Yadav |
Development of predictive pharmacophore model for in silico screening, and 3D QSAR CoMFA and CoMSIA studies for lead optimization, for designing of potent tumor necrosis factor alpha converting enzyme inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 24(2), pp. 143-156, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
|
24 | Jans H. Alzate-Morales, Julio Caballero |
Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MM. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 50(1), pp. 110-122, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
|
24 | Varnavas D. Mouchlis, Thomas M. Mavromoustakos, George Kokotos |
Molecular Docking and 3D-QSAR CoMFA Studies on Indole Inhibitors of GIIA Secreted Phospholipase A2. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 50(9), pp. 1589-1601, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
|
24 | Ruchi R. Mittal, Lisa Harris, Ross A. McKinnon, Michael J. Sorich |
Partial Charge Calculation Method Affects CoMFA QSAR Prediction Accuracy. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 49(3), pp. 704-709, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
24 | Kazuya Yasuo, Noriyuki Yamaotsu, Hiroaki Gouda, Hideki Tsujishita, Shuichi Hirono |
Structure-Based CoMFA As a Predictive Model - CYP2C9 Inhibitors As a Test Case. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 49(4), pp. 853-864, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
24 | Vishal Prakash Zambre, Prashant Revan Murumkar, Rajani Giridhar, Mange Ram Yadav |
Structural Investigations of Acridine Derivatives by CoMFA and CoMSIA Reveal Novel Insight into Their Structures toward DNA G-Quadruplex Mediated Telomerase Inhibition and Offer a Highly Predictive 3D-Model for Substituted Acridines. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 49(5), pp. 1298-1311, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
24 | Hung-Jin Huang, Da-Tian Bau, Ming-Hsui Tsai, Yuan-Man Hsu, Tin-Yun Ho, Chien-Yu Chen 0002, Yea-Huey Chang, Fuu-Jen Tsai, Chang-Hai Tsai, Calvin Yu-Chian Chen |
Dual-Targeted Drug Design of HER2 and HSP90 by CoMFA Model and Pharmacophore Analysis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMEI ![In: Proceedings of the 2nd International Conference on BioMedical Engineering and Informatics, BMEI 2009, October 17-19, 2009, Tianjin, China, pp. 1-5, 2009, IEEE, 978-1-4244-4132-7. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
24 | Beilei Lei, Juan Du 0003, Shuyan Li, Huanxiang Liu, Yueying Ren, Xiaojun Yao |
Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 22(10), pp. 711-725, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Richard D. Cramer, Phillip Cruz, Gunther Stahl, William C. Curtiss, Brian Campbell 0002, Brian B. Masek, Farhad Soltanshahi |
Virtual Screening for R-Groups, including Predicted pIC50 Contributions, within Large Structural Databases, Using Topomer CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(11), pp. 2180-2195, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Qingye Zhang, Jiaoyan Yang, Kun Liang, Lingling Feng, Sanpin Li, Jian Wan 0004, Xin Xu 0004, Guangfu Yang, Deli Liu, Shao Yang |
Binding Interaction Analysis of the Active Site and Its Inhibitors for Neuraminidase (N1 Subtype) of Human Influenza Virus by the Integration of Molecular Docking, FMO Calculation and 3D-QSAR CoMFA Modeling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(9), pp. 1802-1812, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Takanori Ohgaru, Ryo Shimizu, Kousuke Okamoto, Norihito Kawashita, Masaya Kawase, Yuko Shirakuni, Rika Nishikiori, Tatsuya Takagi |
Enhancement of Ordinal CoMFA by Ridge Logistic Partial Least Squares. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(4), pp. 910-917, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Agnes Kapou, Nikolas-P. Benetis, Serdar Durdagi, Sotiris Nikolaropoulos, Thomas M. Mavromoustakos |
3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(11), pp. 2254-2264, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Monique Araújo de Brito, Carlos Rangel Rodrigues, José Jair Vianna Cirino, Ricardo B. de Alencastro, Helena Castro, Magaly G. Albuquerque |
3D-QSAR CoMFA of a Series of DABO Derivatives as HIV-1 Reverse Transcriptase Non-Nucleoside Inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(8), pp. 1706-1715, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
24 | Zhuoyong Zhang, Liying An, Wenxiang Hu, Yuhong Xiang |
3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 21(4), pp. 145-153, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
24 | Maulik R. Patel, Jonathan R. Dimmock, Tanaji T. Talele |
CoMFA and CoMSIA Studies on 1, 3-Bis(benzylidene)-3, 4-dihydro-1H-naphthalen-2-one, 2, 6-Bis(benzylidene)cyclohexanone, and 3, 5-Bis(benzylidene)-4-piperidone Series of Cytotoxic Compounds. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 47(6), pp. 2110-2123, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
24 | Yan-Zhen He, Yuan-Xiang Li, Xiao-Lei Zhu, Zhen Xi, Congwei Niu, Jian Wan 0004, Li Zhang, Guangfu Yang |
Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 47(6), pp. 2335-2344, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
24 | Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang |
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 20(9), pp. 549-566, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
24 | Elizabeth A. Amin, William J. Welsh |
Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1' and S1-S2' Binding Modes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 46(4), pp. 1775-1783, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
24 | Shane D. Peterson, Wesley Schaal, Anders Karlén |
Improved CoMFA Modeling by Optimization of Settings. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 46(1), pp. 355-364, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
24 | Samuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, Mikael Peräkylä |
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 45(6), pp. 1874-1883, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
24 | Philip Prathipati, Gyanendra Pandey, Anil K. Saxena |
CoMFA and Docking Studies on Glycogen Phosphorylase a Inhibitors as Antidiabetic Agents. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 45(1), pp. 136-145, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
24 | Huabei Zhang, Hua Li, Chunping Liu |
CoMFA, CoMSIA, and Molecular Hologram QSAR Studies of Novel Neuronal nAChRs Ligands-Open Ring Analogues of 3-Pyridyl Ether. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 45(2), pp. 440-448, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
24 | Dawoon Jung 0002, Jie Floyd, Tamara M. Gund |
A comparative molecular field analysis (CoMFA) study using semiempirical, density functional, ab initio methods and pharmacophore derivation using DISCOtech on sigma 1 ligands. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 25(11), pp. 1385-1399, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
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24 | José L. Medina-Franco, Sergio Rodríguez-Morales, Cecilia Juárez-Gordiano, Alicia Hernández-Campos, Rafael Castillo |
Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 18(5), pp. 345-360, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
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24 | Jaroslaw Polanski, Rafal Gieleciak, Tomasz Magdziarz, Andrzej Bak |
GRID Formalism for the Comparative Molecular Surface Analysis: Application to the CoMFA Benchmark Steroids, Azo Dyes, and HEPT Derivatives. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 44(4), pp. 1423-1435, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
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24 | Chris L. Waller |
A Comparative QSAR Study Using CoMFA, HQSAR, and FRED/SKEYS Paradigms for Estrogen Receptor Binding Affinities of Structurally Diverse Compounds. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 44(2), pp. 758-765, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
24 | Zhigang Zhou, Jeffry D. Madura |
CoMFA 3D-QSAR Analysis of HIV-1 RT Nonnucleoside Inhibitors, TIBO Derivatives Based on Docking Conformation and Alignment. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 44(6), pp. 2167-2178, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
24 | James L. Melville, Jonathan D. Hirst |
On the Stability of CoMFA Models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 44(4), pp. 1294-1300, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
24 | Julius Sipilä, Jyrki Taskinen |
CoMFA Modeling of Human Catechol O-Methyltransferase Enzyme Kinetics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 44(1), pp. 97-104, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
24 | Peter Wolohan, David E. Reichert |
CoMFA and docking study of novel estrogen receptor subtype selective ligands. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 17(5-6), pp. 313-328, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
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24 | Gerrit Schüürmann, Simona Funar-Timofei |
Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye-Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 43(5), pp. 1502-1512, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
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24 | Julius Sipilä, Alan M. Hood, Michael W. H. Coughtrie, Jyrki Taskinen |
CoMFA Modeling of Enzyme Kinetics: Km Values for Sulfation of Diverse Phenolic Substrates by Human Catecholamine Sulfotransferase SULT1A3. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 43(5), pp. 1563-1569, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
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24 | Viera Lukacova, Stefan Balaz |
Multimode Ligand Binding in Receptor Site Modeling: Implementation in CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 43(6), pp. 2093-2105, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
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24 | Juswinder Singh, Herman van Vlijmen, Wen-Cherng Lee, Yusheng Liao, Ko-Chung Lin, Humayun Ateeq, Julio Cuervo, Craig Zimmerman, Charles Hammond, Michael Karpusas, Rex Palmer, Tapan Chattopadhyay, Steven P. Adams |
3D QSAR (COMFA) of a series of potent and highly selective VLA-4 antagonists. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 16(3), pp. 201-211, 2002. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
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24 | Simona Funar-Timofei, Gerrit Schüürmann |
Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 42(4), pp. 788-795, 2002. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
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24 | Janne E. Tønder, Preben H. Olesen, John Bondo Hansen, Mikael Begtrup, Ingrid Pettersson |
An improved nicotinic pharmacophore and a stereoselective CoMFA-model for nicotinic agonists acting at the central nicotinic acetylcholine receptors labelled by [3H]-N-methylcarbamylcholine. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 15(3), pp. 247-258, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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24 | Irini A. Doytchinova |
CoMFA-based comparison of two models of binding site on adenosine A1 receptor. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 15(1), pp. 29-39, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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24 | Pierre Ducrot, Charles R. Andrianjara, Roger Wrigglesworth |
CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 15(9), pp. 767-785, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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24 | Keun Woo Lee, James M. Briggs |
Comparative molecular field analysis (CoMFA) study of epothilones - tubulin depolymerization inhibitors: Pharmacophore development using 3D QSAR methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 15(1), pp. 41-55, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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24 | Malini Ravi, Anton J. Hopfinger, Robert E. Hormann, Laurence Dinan |
4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 41(6), pp. 1587-1604, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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24 | Keigo Gohda, Ichiro Mori, Daisaku Ohta, Takeshi Kikuchi |
A CoMFA analysis with conformational propensity: An attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 14(3), pp. 265-275, 2000. The full citation details ...](Pics/full.jpeg) |
2000 |
DBLP DOI BibTeX RDF |
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24 | Raimundo Gargallo, Christoph A. Sotriffer, Klaus R. Liedl, Bernd M. Rode |
Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 13(6), pp. 611-623, 1999. The full citation details ...](Pics/full.jpeg) |
1999 |
DBLP DOI BibTeX RDF |
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24 | Laurence Dinan, Robert E. Hormann, Ted Fujimoto |
An extensive ecdysteroid CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 13(2), pp. 185-207, 1999. The full citation details ...](Pics/full.jpeg) |
1999 |
DBLP DOI BibTeX RDF |
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24 | Toshiro Kimura, Kiyoshi Hasegawa, Kimito Funatsu |
GA Strategy for Variable Selection in QSAR Studies: GA-Based Region Selection for CoMFA Modeling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 38(2), pp. 276-282, 1998. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
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24 | A. E. Medvedev, A. V. Veselovsky, V. I. Shvedov, O. V. Tikhonova, T. A. Moskvitina, O. A. Fedotova, L. N. Axenova, N. S. Kamyshanskaya, A. Z. Kirkel, Alexis S. Ivanov |
Inhibition of Monoamine Oxidase by Pirlindole Analogues: 3D-QSAR and CoMFA Analysis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 38(6), pp. 1137-1144, 1998. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
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24 | Asim Kumar Debnath |
Comparative Molecular Field Analysis (CoMFA) of a Series of Symmetrical Bis-Benzamide Cyclic Urea Derivatives as HIV-1 Protease Inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 38(4), pp. 761-767, 1998. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
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24 | Silke Schmetzer, Paulette A. Greenidge, Karl-Artur Kovar, Meike Schulze-Alexandru, Gerd Folkers |
Structure-activity relationships of cannabinoids: A joint CoMFA and pseudoreceptor modelling study. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 11(3), pp. 278-292, 1997. The full citation details ...](Pics/full.jpeg) |
1997 |
DBLP DOI BibTeX RDF |
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24 | Yukio Tominaga, Iwao Fujiwara |
Prediction-Weighted Partial Least-Squares Regression Method (PWPLS) 2: Application to CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 37(6), pp. 1152-1157, 1997. The full citation details ...](Pics/full.jpeg) |
1997 |
DBLP DOI BibTeX RDF |
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24 | Traian Sulea, Tudor I. Oprea, Sorel Muresan, Shek Ling Chan |
A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 37(6), pp. 1162-1170, 1997. The full citation details ...](Pics/full.jpeg) |
1997 |
DBLP DOI BibTeX RDF |
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24 | Laura Belvisi, Gianpaolo Bravi, Giovanna Catalano, Massimo Mabilia, Aldo Salimbeni, Carlo Scolastico |
A 3D QSAR CoMFA study of non-peptide angiotensin II receptor antagonists. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 10(6), pp. 567-582, 1996. The full citation details ...](Pics/full.jpeg) |
1996 |
DBLP DOI BibTeX RDF |
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24 | Sung-Eun Yoo, Ok Ja Cha |
Prediction of LUMO Energy and Rate Constant by Comparative Molecular Field Analysis(CoMFA). ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 16(4), pp. 449-453, 1995. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
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24 | Angelo Carotti, Cosimo Altomare, Saverio Cellamare, AnnaMaria Monforte, Giancarlo Bettoni, Fulvio Loiodice, Nicola Tangari, Vincenzo Tortorella |
LFER and CoMFA studies on optical resolution of alpha-alkyl alpha-aryloxy acetic acid methl esters on DACH-DNB chiral stationary phase. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 9(2), pp. 131-138, 1995. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
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24 | Romano T. Kroemer, Peter Hecht |
A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 9(5), pp. 396-406, 1995. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
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24 | Romano T. Kroemer, Peter Hecht |
Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 9(3), pp. 205-212, 1995. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
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24 | Giovanni Greco, Ettore Novellino, Maurizio Pellecchia, Carlo Silipo, Antonio Vittoria |
Effects of variable selection on CoMFA coefficient contour maps in a set of triazines inhibiting DHFR. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 8(2), pp. 97-112, 1994. The full citation details ...](Pics/full.jpeg) |
1994 |
DBLP DOI BibTeX RDF |
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24 | Julie A. Calder, John A. Wyatt, David A. Frenkel, John E. Casida |
CoMFA validation of the superposition of six classes of compounds which block GABA receptors non-competitively. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 7(1), pp. 45-60, 1993. The full citation details ...](Pics/full.jpeg) |
1993 |
DBLP DOI BibTeX RDF |
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24 | Ki Hwan Kim, Giovanni Greco, Ettore Novellino, Carlo Silipo, Antonio Vittoria |
Use of the hydrogen bond potential function in a comparative molecular field analysis (CoMFA) on a set of benzodiazepines. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 7(3), pp. 263-280, 1993. The full citation details ...](Pics/full.jpeg) |
1993 |
DBLP DOI BibTeX RDF |
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24 | Bruce L. Bush, Robert B. Nachbar |
Sample-distance Partial Least Squares: PLS optimized for many variables, with application to CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 7(5), pp. 587-619, 1993. The full citation details ...](Pics/full.jpeg) |
1993 |
DBLP DOI BibTeX RDF |
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24 | Deborah A. Loughney, Charles F. Schwender |
A comparison of progestin and androgen receptor binding using the CoMFA technique. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 6(6), pp. 569-581, 1992. The full citation details ...](Pics/full.jpeg) |
1992 |
DBLP DOI BibTeX RDF |
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24 | Glen E. Kellogg, Simon F. Semus, Donald J. Abraham |
HINT: A new method of empirical hydrophobic field calculation for CoMFA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 5(6), pp. 545-552, 1991. The full citation details ...](Pics/full.jpeg) |
1991 |
DBLP DOI BibTeX RDF |
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