Search Result "Comparative Binding Energy (COMBINE)"


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

Comparative Binding Energy (COMBINE) Analysis of Human Neutrophil Elastase Inhibition by Pyridone-containing Trifluoromethylketones

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 627-642
Author(s): Carmen Cuevas, Manuel Pastor, Carlos Perez, Federico Gago

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

Comparative Binding Analysis of Monoclonal Antibodies Against Native and Mutant Type in ErbB2 Receptor: A Theoretical Modeling Approach

Journal: Current Pharmaceutical Biotechnology
Volume: 10 Issue: 7 Year: 2009 Page: 701-708
Author(s): R. Rajasekaran, Sethumadhavan Rao

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

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

Whither Combine? New Opportunities for Receptor-Based QSAR

Journal: Current Medicinal Chemistry
Volume: 14 Issue: 1 Year: 2007 Page: 1863-1877
Author(s): Gerald H. Lushington, Jian-Xin Guo, Jenna L. Wang

Comparative Study on Gas Adsorption in Defected Carbon and Boron Nitride Nanotube

Journal: Current Nanoscience
Volume: 6 Issue: 2 Year: 2010 Page: 131-136
Author(s): R. Geetha, V. Gayathri

Free Energy Calculations and Binding Analysis of Two Potential Anti- Influenza Drugs with Polymerase Basic Protein-2 (PB2)

Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 1002-1009
Author(s): Hui-Min Lv, Xiao-Li Guo, Ruo-Xu Gu, Dong-Qing Wei

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