Search Result "Linear Interaction Energy method"

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

Linear Interaction Energy (LIE) Method in Lead Discovery and Optimization

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1100-1105
Author(s): Hermes Luis Neubauer de Amorim, Rafael Andrade Caceres, Paulo Augusto Netz

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

Computational Modelling of Linear Motif-Mediated Protein Interactions

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 14 Year: 2012 Page: 1553-1561
Author(s): Bostjan Kobe,Mikael Boden

Influence of Molecular Stereochemistry on the Continuum Model for Van der Waals Interaction between β-Cyclodextrin and Linear Molecules

Journal: Current Physical Chemistry
Volume: 3 Issue: 3 Year: 2013 Page: 357-365
Author(s): Elena Alvira

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

Non-linear Optics

Ebook: Fluorescence Microscopy in Life Sciences
Volume: 1 Year: 2017
Author(s): Juan Carlos Stockert,Alfonso Blazquez-Castro
Doi: 10.2174/9781681085180117010023

Towards Predictive Ligand Design With Free-Energy Based Computational Methods?

Journal: Current Medicinal Chemistry
Volume: 13 Issue: 2 Year: 2006 Page: 3583-3608
Author(s): N. Foloppe, R. Hubbard

Computational Methods for Protein-Protein Interaction and their Application

Journal: Current Protein & Peptide Science
Volume: 6 Issue: 5 Year: 2005 Page: 443-449
Author(s): Tie-Liu Shi, Yi-Xue Li, Yu-Dong Cai, Kuo-Chen Chou

Free Energy Estimation for Drug Discovery: Background and Perspectives

Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010011

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