Search Result "linear interaction energy in continuum electrostatics"
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
Linear Interaction Energy (LIE) Method in Lead Discovery and Optimization
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1100-1105
Author(s): Hermes Luis Neubauer de Amorim, Rafael Andrade Caceres, Paulo Augusto Netz
Influence of Molecular Stereochemistry on the Continuum Model for Van der Waals Interaction between β-Cyclodextrin and Linear Molecules
Journal: Current Physical Chemistry
Volume: 3 Issue: 3 Year: 2013 Page: 357-365
Author(s): Elena Alvira
Protein: Ligand Recognition: Simple Models for Electrostatic Effects
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4241-4256
Author(s): Thomas Simonson
Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis
Conformational Electrostatics in the Stabilization of the Peptide Anion
Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 162-180
Author(s): Janet S. Anderson, Griselda Hernandez, David M. LeMaster
Binding Affinity and Specificity from Computational Studies
Journal: Current Organic Chemistry
Volume: 6 Issue: 1 Year: 2002 Page: 1319-1332
Author(s): Themis Lazaridis
Calculating the Protonation States of Proteins and Small Molecules: Implications to Ligand-Receptor Interactions
Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 169-179
Author(s): Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva, Emil Alexov
Recent Advances in ProteinâLigand Interactions: Molecular Dynamics Simulations and Binding Free Energy
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha
Free Energy Estimation for Drug Discovery: Background and Perspectives
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010011