Search Result "molecular mechanics-generalized born-surface area"
Reliability of Virtual Screening Methods in Prediction of PDE4Binhibitor Activity
Journal: Current Drug Discovery Technologies
Volume: 12 Issue: 2 Year: 2015 Page: 117-126
Author(s): Victoria Shubina,Sanna Niinivehmas,Olli T. Pentikainen
Estimation of the Binding Free Energy by Linear Interaction Energy Models
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 551-561
Author(s): O. Nicolotti,M. Convertino,F. Leonetti,M. Catto,S. Cellamare,A. Carotti
Atomistic Models for Free Energy Evaluation of Drug Binding to Membrane Proteins
Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2601-2611
Author(s): S. Durdagi, C. Zhao, J. E. Cuervo, S. Y. Noskov
Progress in Studies of Structure, Mechanism and Antagonists Interaction of GPCR Co-Receptors for HIV
Journal: Current Pharmaceutical Biotechnology
Volume: 15 Issue: 10 Year: 2014 Page: 938-950
Author(s): Bing Zhong,Yunmei Zhen,Guangrong Qin,Huaiyu Yang,Hualiang Jiang,Guanghui Chen,Kunqian Yu
Molecular Dynamics Simulation of MNT
Ebook: Micro and Nanomachining Technology-Size, Model and Complex Mechanism
Volume: 1 Year: 2014
Author(s): Xuesong Han
Doi: 10.2174/9781608057696114010005
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Irene Maffucci,Alessandro Contini
Doi: 10.2174/9781608058648115010005
Multiscale Molecular Dynamics of Protein Aggregation
Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa
A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1631-1639
Author(s): Xiaohua Zhang,Horacio Perez-Sanchez,Felice C. Lightstone
Rational Prediction with Molecular Dynamics for Hit Identification
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2002-2012
Author(s): Sara E. Nichols,Robert V. Swift,Rommie E. Amaro