Search Result "Semi-empirical force scoring function"
Electrostatic Potential Energy in Protein-Drug Complexes
Journal: Current Medicinal Chemistry
Volume: 28 Issue: 24 Year: 2021 Page: 4954-4971
Author(s): Gabriela Bitencourt-Ferreira,Walter Filgueira de Azevedo Junior
Scope and Limitation of Ligand Docking: Methods, Scoring Functions and Protein Targets
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 3 Year: 2005 Page: 275-306
Author(s): L. David, P. Aadal Nielsen, M. Hedstrom, B. Norden
Prospects of Applying Enhanced Semi-Empirical QM Methods for 2101 Virtual Drug Design
Journal: Current Medicinal Chemistry
Volume: 23 Issue: 20 Year: 2016 Page: 2101-2111
Author(s): Nusret Duygu Yilmazer,Martin Korth
Molecular Mechanics Force Fields and their Applications in Drug Design
Journal: Anti-Infective Agents in Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2009 Page: 128-150
Author(s): Raghuvir R.S. Pissurlenkar, Mushtaque S. Shaikh, Radhakrishnan P. Iyer, Evans C. Coutinho
Receptor-Based Computational Screening of Compound Databases: The Main Docking-Scoring Engines
Journal: Current Protein & Peptide Science
Volume: 7 Issue: 5 Year: 2006 Page: 369-393
Author(s):
Computational Methods for Calculation of Ligand-Binding Affinity
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1031-1039
Author(s): Walter Filgueira de Azevedo Jr., Raquel Dias
Theoretical Study and Principal Component Analysis of Focal Adhesion Kinase Inhibitors
Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 337-346
Author(s):
Assessment of Adolescent Personality Disorders Through the Interview of Personality Organization Processes in Adolescence (IPOP-A): Clinical and Theoretical Implications
Journal: Adolescent Psychiatry
Volume: 2 Issue: 1 Year: 2012 Page: 36-45
Author(s): Massimo Ammaniti, Andrea Fontana, Audrey Clarkin, John F. Clarkin, Giampaolo Nicolais, Otto F. Kernberg
Experimental Approaches to Evaluate the Thermodynamics of Protein- Drug Interactions
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1071-1076
Author(s): Walter Filgueira de Azevedo Jr., Raquel Dias
Free Energy of Ligand Binding to Protein: Evaluation of the Contribution of Water Molecules by Computational Methods
Journal: Current Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2004 Page: 3093-3118
Author(s): Pietro Cozzini, Micaela Fornabaio, Anna Marabotti, Donald J. Abraham, Glen E. Kellogg, Andrea Mozzarelli