Search Result "SASA and desolvation"
The Role of Water Occlusion for the Definition of a Protein Binding Hot-Spot
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 20 Year: 2015 Page: 2068-2079
Author(s): Irina S. Moreira
Binding Affinity and Specificity from Computational Studies
Journal: Current Organic Chemistry
Volume: 6 Issue: 1 Year: 2002 Page: 1319-1332
Author(s): Themis Lazaridis
Optimization Methods for Virtual Screening on Novel Computational Architectures
Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 1 Year: 2011 Page: 44-52
Author(s): Horacio Perez-Sanchez, Wolfgang Wenzel
Subject Index
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Zaheer-ul-Haq,J. D. Madura
Doi: 10.2174/9781608058648115010011
Inhibition of the ATPase Domain of Human Topoisomerase IIa on HepG2 Cells by 1, 2-benzenedicarboxylic Acid, Mono (2-ethylhexyl) Ester: Molecular Docking and Dynamics Simulations
Journal: Current Cancer Drug Targets
Volume: 19 Issue: 6 Year: 2019 Page: 495-503
Author(s): Jemimah Naine Selvakumar,Subathra Devi Chandrasekaran,George Priya C. Doss,Thirumal D. Kumar
Decoding Protein-protein Interactions: An Overview
Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 10 Year: 2020 Page: 855-882
Author(s): Olivia Slater,Bethany Miller,Maria Kontoyianni
Exploring Interaction of TNF and Orthopoxviral CrmB Protein by Surface Plasmon Resonance and Free Energy Calculation
Journal: Protein & Peptide Letters
Volume: 21 Issue: 12 Year: 2014 Page: 1273-1281
Author(s): Nikita V. Ivanisenko,Tatiana V. Tregubchak,Olga V. Saik,Vladimir A. Ivanisenko,Sergei N. Shchelkunov
Computational Toxicology Studies of Chemical Compounds Released from Firecrackers
Ebook: Computational Toxicology for Drug Safety and a Sustainable Environment
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815196986123010011
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
Structural Basis for Binding of Aurora-AG198N- INCENP Complex: MD Simulations and Free Energy Calculations
Journal: Protein & Peptide Letters
Volume: 20 Issue: 1 Year: 2013 Page: 1246-1256
Author(s): Karunakar Tanneeru, Lalitha Guruprasad