Search Result "Free energy binding"
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
Atomistic Models for Free Energy Evaluation of Drug Binding to Membrane Proteins
Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2601-2611
Author(s): S. Durdagi, C. Zhao, J. E. Cuervo, S. Y. Noskov
The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 613-626
Author(s): Johan Aqvist, John Marelius
The Conformational Free Energy of Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 256-262
Author(s): Michelle M. Kuttel
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
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
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
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
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
Extracting Atomic Contributions to Binding Free Energy Using MolecularDynamics Simulations with Mixed Solvents (MDmix)
Journal: Current Drug Discovery Technologies
Volume: 19 Issue: 2 Year: 2022 Page: 62-68
Author(s): Peter Schmidtke,Elena Cubero,Xavier Barril