Search Result "Comparative binding energy"
Enzyme-Substrate Binding Interaction Energies and Their Application to the Cytochrome P450 System
Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 2 Year: 2008 Page: 111-122
Author(s): David F.V. Lewis, Yuko Ito, Peter S. Goldfarb
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
Does Alpha-Helix Folding Necessarily Provide an Energy Source for the Protein-Lipid Binding?
Journal: Protein & Peptide Letters
Volume: 14 Issue: 2 Year: 2007 Page: 171-174
Author(s): Olga Gursky
Identifying Protein-Protein Binding Sites with a Combined Energy Function
Journal: Current Protein & Peptide Science
Volume: 15 Issue: 6 Year: 2014 Page: 540-552
Author(s): Fei Guo,Shuai C. Li,Ying Fan,Lusheng Wang
Overview of Binding Free Energy Calculation Techniques for Elucidation of Biological Processes and for Drug Discovery
Journal: Medicinal Chemistry
Volume: 11 Issue: 3 Year: 2015 Page: 248-253
Author(s): Takeshi Ashida, Takeshi Kikuchi
Extracting Atomic Contributions to Binding Free Energy Using MolecularDynamics Simulations with Mixed Solvents (MDmix)
Journal: Current Drug Discovery Technologies
Volume: 19 Issue: 2 Year: 2022 Page: 62-68
Author(s): Peter Schmidtke,Elena Cubero,Xavier Barril
Comparative Binding Energy (COMBINE) Analysis of Human Neutrophil Elastase Inhibition by Pyridone-containing Trifluoromethylketones
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 627-642
Author(s): Carmen Cuevas, Manuel Pastor, Carlos Perez, Federico Gago
Comparative Binding Analysis of Monoclonal Antibodies Against Native and Mutant Type in ErbB2 Receptor: A Theoretical Modeling Approach
Journal: Current Pharmaceutical Biotechnology
Volume: 10 Issue: 7 Year: 2009 Page: 701-708
Author(s): R. Rajasekaran, Sethumadhavan Rao
A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2577-2585
Author(s): Robert Abel,Lingle Wang,David L. Mobley,Richard A. Friesner