Search Result "electrostatic component of binding free energy."


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

Free Energy Calculations for Cyclodextrin Inclusion Complexes

Journal: Current Organic Chemistry
Volume: 15 Issue: 6 Year: 2011 Page: 839-847
Author(s): Wen Sheng Cai, Teng Wang, Ying Zhe Liu, Peng Liu, Christophe Chipot, Xue Guang Shao

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

Analysis of Binding Interaction Between Prulifloxacin and Pepsin in the Existence of Eu(III): A Spectroscopic Analysis

Journal: Current Analytical Chemistry
Volume: 7 Issue: 3 Year: 2011 Page: 194-200
Author(s): Xiaoyan Gao, Xiaojie Zhang, Yingcai Tang, Xiaoping Zhang, Wujie Zhao, Yanqin Zi

Sialic Acid Recognition of the Pandemic Influenza 2009 H1N1 Virus: Binding Mechanism Between Human Receptor and Influenza Hemagglutinin

Journal: Protein & Peptide Letters
Volume: 18 Issue: 5 Year: 2011 Page: 530-539
Author(s): Kaori Fukuzawa, Katsumi Omagari, Katsuhisa Nakajima, Eri Nobusawa, Shigenori Tanaka

A Quantitative Perspective on Hydrophobic Interactions in the Gas-Phase

Journal: Current Proteomics
Volume: 8 Issue: 1 Year: 2011 Page: 47-58
Author(s): Michal Sharon, Carol V. Robinson

Role of FK506 Binding Proteins in Neurodegenerative Disorders

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 3 Year: 2011 Page: 5380-5397
Author(s): S. Chattopadhaya, A. Harikishore, H. S. Yoon

A Novel Ligand-Mapping Method Based on Molecular Liquid Theory

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1685-1694
Author(s): Takashi Imai

Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 151-163
Author(s): Pramod C. Nair

Molecular Dynamics Simulations of Protein Targets Identified in Mycobacterium tuberculosis

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 9 Year: 2011 Page: 1353-1366
Author(s): W. F. de Azevedo

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