Search Result "binding free energy calculation."
Methods for Calculating the Entropy and Free Energy of Biological Systems
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Hagai Meirovitch
Doi: 10.2174/9781608054879113010013
Towards Accurate Free Energy Calculations in Ligand Protein-Binding Studies
Journal: Current Medicinal Chemistry
Volume: 17 Issue: 8 Year: 2010 Page: 767-785
Author(s): Thomas Steinbrecher, Andreas Labahn
Free Energy Perturbation Calculations on Glucosidase-Inhibitor Complexes
Journal: Medicinal Chemistry
Volume: 1 Issue: 5 Year: 2005 Page: 455-460
Author(s): F. M. Ruiz, J. R. Grigera
Free Energy Calculations for Cyclodextrin Inclusion Complexes
Journal: Current Organic Chemistry
Volume: 15 Issue: 6 Year: 2011 Page: 839-847
Author(s): Wen Sheng Cai, Teng Wang, Ying Zhe Liu, Peng Liu, Christophe Chipot, Xue Guang Shao
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
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
Molecular Recognition and Binding Free Energy Calculations in Drug Development
Journal: Current Pharmaceutical Biotechnology
Volume: 9 Issue: 2 Year: 2008 Page: 87-95
Author(s): B. N. Dominy
Advances in Binding Free Energies Calculations: QM/MM-Based Free Energy Perturbation Method for Drug Design
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4674-4686
Author(s): R.S. Rathore,M. Sumakanth,M. Siva Reddy,P. Reddanna,Allam Appa Rao,Mark D. Erion,M.R. Reddy
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
Methods for Calculating the Entropy and Free Energy and their Application to Problems Involving Protein Flexibility and Ligand Binding
Journal: Current Protein & Peptide Science
Volume: 10 Issue: 3 Year: 2009 Page: 229-243
Author(s): Hagai Meirovitch, Srinath Cheluvaraja, Ronald P. White