Search Result "solvated interaction energies (SIE)."


Solvation Models: Theory and Validation

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea

Recent Advances in Protein−Ligand 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

Ibalizumab-Human CD4 Receptor Interaction: Computational Alanine Scanning Molecular Dynamics Studies

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 217-225
Author(s): Zhi-Yuan Su

Inhibitor and Substrate Binding by New Delhi metallo-beta-lactamase-1: A Molecular Dynamics Studies

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 197-204
Author(s): Yeng-Tseng Wang,Chi-Yu Lu,Tzyh-Chyuan Hour,Tian-Lu Cheng

Molecular Dynamics Simulation Reveal the Mechanism of Resistance of Mutant Actins to Latrunculin A – Insight into Specific Modifications to Design Novel Drugs to Overcome Resistance

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 107-118
Author(s): Roopa Lalitha,Pravin Kumar R.,M. M. Sudheer Mohammed

Structural Bioinformatics: Methods, Concepts and Applications to Blood Coagulation Proteins

Journal: Current Protein & Peptide Science
Volume: 3 Issue: 3 Year: 2002 Page: 341-364
Author(s): Bruno O. Villoutreix

Structure Solution of Misfolded Conformations Adopted by Intrinsically Disordered Alzheimers Tau Protein

Journal: Protein & Peptide Letters
Volume: 16 Issue: 1 Year: 2009 Page: 61-64
Author(s): Jozef Sevcik, Rostislav Skrabana, Eva Kontsekova, Michal Novak

Computational Intelligence Methods for Docking Scores

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 56-68
Author(s): David Hecht, Gary B. Fogel

Review Article

Structure and Function of L,D- and D,D-Transpeptidase Family Enzymes from Mycobacterium tuberculosis

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 1 Year: 2020 Page: 3250-3267
Author(s): Gideon F. Tolufashe,Victor T. Sabe,Colins U. Ibeji,Thandokuhle Ntombela,Thavendran Govender,Glenn E.M. Maguire,Hendrik G. Kruger,Gyanu Lamichhane,Bahareh Honarparvar

Predicting ADMET Properties by Projecting onto Chemical Space?Benefits and Pitfalls

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 2 Year: 2005 Page: 179-193
Author(s): Hongmao Sun

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