Search Result "substrate binding energy"


Enzyme-Substrate Binding Interaction Energies and Their Application to the Cytochrome P450 System

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 2 Year: 2008 Page: 111-122
Author(s): David F.V. Lewis, Yuko Ito, Peter S. Goldfarb

Computational Studies on Enzyme-Substrate Complexes of Methanogenesis for Revealing their Substrate Binding Affinities to Direct the Reverse Reactions

Journal: Protein & Peptide Letters
Volume: 20 Issue: 3 Year: 2013 Page: 265-278
Author(s): Chellapandi P.

On the Estimation of Binding Affinity (ΔGbind) for Human P450 Substrates (Based on Km and KΔ Values)

Journal: Current Drug Metabolism
Volume: 4 Issue: 5 Year: 2003 Page: 331-340
Author(s): David F.V. Lewis

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

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

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

General Research Article

Wettability of Graphene Coated on Aluminum Substrate with Microstructure Modification

Journal: Current Nanoscience
Volume: 19 Issue: 2 Year: 2023 Page: 270-278
Author(s):

Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1222-1233
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li

Free Energy Calculations to Estimate Ligand-Binding Affinities in Structure-Based Drug Design

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3323-3337
Author(s): M. Rami Reddy,C. Ravikumar Reddy,R. S. Rathore,Mark D. Erion,P. Aparoy,R. Nageswara Reddy,P. Reddanna

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