Search Result "molecular descrip-tors (MDs)"
Molecular Dynamics of Protein Kinase-Inhibitor Complexes: A Valid Structural Information
Journal: Current Pharmaceutical Design
Volume: 18 Issue: 20 Year: 2012 Page: 2946-2963
Author(s): Julio Caballero,Jans H. Alzate-Morales
Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions
Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 6 Year: 2019 Page: 426-443
Author(s): Krishnan Balasubramanian,Satya P. Gupta
Recent Advances in Molecular Modeling and Medicinal Chemistry Aspects of Phospho-Glycoprotein&#
Journal: Current Drug Metabolism
Volume: 7 Issue: 2 Year: 2006 Page: 205-217
Author(s): E. Srinivas, J. N. Murthy, A. R. R. Rao, G. N. Sastry
Multivariate Linear Regression Models Based on ADME Descriptors and Predictions of ADMET Profile for Structurally Diverse Thermolysin Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 6 Year: 2009 Page: 428-436
Author(s): Mahmud Tareq Hassan Khan, Ingebrigt Sylte
Molecular Recognition and Binding Free Energy Calculations in Drug Development
Journal: Current Pharmaceutical Biotechnology
Volume: 9 Issue: 2 Year: 2008 Page: 87-95
Author(s): B. N. Dominy
Recent Advances in NNRTI Design: Computer-Aided Molecular Design Approaches
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 3 Year: 2009 Page: 174-199
Author(s): Pornpan Pungpo, Auradee Punkvang, Patchreenart Saparpakorn, Peter Wolschann, Supa Hannongbua
Development of Energy-based Pharmacophore Model and Stepwise Virtual Screening of LRRK2 Inhibitors Through Molecular Dynamics and Mechanics
Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 24-32
Author(s): Sagar S. Bhayye,Kunal Roy,Achintya Saha
Development of Anti-Viral Agents Using Molecular Modeling and Virtual Screening Techniques
Journal: Infectious Disorders - Drug Targets
Volume: 11 Issue: 1 Year: 2011 Page: 64-93
Author(s): Johannes Kirchmair, Simona Distinto, Klaus Roman Liedl, Patrick Markt, Judith Maria Rollinger, Daniela Schuster, Gudrun Maria Spitzer, Gerhard Wolber
Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 151-163
Author(s): Pramod C. Nair
Molecular Determinants of Enzyme Cold Adaptation: Comparative Structural and Computational Studies of Cold- and Warm-Adapted Enzymes
Journal: Current Protein & Peptide Science
Volume: 12 Issue: 7 Year: 2011 Page: 657-683
Author(s): Elena Papaleo, Matteo Tiberti, Gaetano Invernizzi, Marco Pasi, Valeria Ranzani