Search Result "binding energy"


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

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

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

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

Research Article

Modulating Binding Energy and Interband Emission Energy of Impurity Doped Quantum Dots In Presence of Gaussian White Noise

Journal: Current Smart Materials (Discontinued)
Volume: 2 Issue: 1 Year: 2017 Page: 56-64
Author(s): Anuja Ghosh,Aindrila Bera,Manas Ghosh

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

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

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

Identifying Protein-Protein Binding Sites with a Combined Energy Function

Journal: Current Protein & Peptide Science
Volume: 15 Issue: 6 Year: 2014 Page: 540-552
Author(s): Fei Guo,Shuai C. Li,Ying Fan,Lusheng Wang

Research Article open access plus

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

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