Search Result "molecular dynamics simulations"


Molecular Simulation to Investigate the Cofactor Specificity for Pichia stipitis Xylose Reductase

Journal: Medicinal Chemistry
Volume: 9 Issue: 7 Year: 2013 Page: 985-992
Author(s): Xiao-Le Xia,Shan Cong,Xiao-Rong Weng,Jin-Hua Chen,Jing-Fang Wang,Kuo-Chen Chou

Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 22-38
Author(s): S.K. Sadiq,R. Guixa-Gonzalez,E. Dainese,M. Pastor,G. De Fabritiis,J. Selent

o-Alkylselenenylated Benzoic Acid Accesses Several Sites in Serum Albumin According to Fluorescence Studies, Raman Spectroscopy and Theoretical Simulations

Journal: Protein & Peptide Letters
Volume: 20 Issue: 6 Year: 2013 Page: 705-714
Author(s): Federico Martinez-Ramos, Yadira Fonseca-Sabater, Marvin A. Soriano-Ursua, Eduardo Torres, Martha C. Rosales-Hernandez, Jose G. Trujillo-Ferrara, Luis E. Tolentino-Lopez, Ilizaliturri-Flores Ian, Jose Correa-Basurto

Bifunctional Anti-HIV/TB Inhibitors: Perspective from In-Silico Design and Molecular Dynamics Simulations

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 8 Year: 2013 Page: 706-712
Author(s): Lauren Blake,Mahmoud E. S. Soliman

Structural Analysis As an Alternative to Identify and Determine Mode of Action of Antimicrobial Peptides: Proposition of a Kinetic Model Based on Molecular Dynamics Studies

Journal: Protein & Peptide Letters
Volume: 20 Issue: 5 Year: 2013 Page: 489-498
Author(s): Edson Edinho Robles-Gomez, Mirelle Citlali Flores-Villegas, Alicia Gonzalez-Manjarrez, Manuel Soriano-Garcia

Atomistic Simulations of Ultrashort Pulsed Laser Ablation of Polycrystalline Diamond

Journal: Current Nanoscience
Volume: 9 Issue: 6 Year: 2013 Page: 804-811
Author(s): Z. Q. Li,J. Wang,T. Sun

Mitochondrial Dynamics: An Emerging Paradigm in Ischemia-Reperfusion Injury

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 39 Year: 2013 Page: 6848-6857
Author(s): Lesley Calo,Yi Dong,Rita Kumar,Karin Przyklenk,Thomas H. Sanderson

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

The Topology and Dynamics of Protein Complexes: Insights from Intra– Molecular Network Theory

Journal: Current Protein & Peptide Science
Volume: 14 Issue: 2 Year: 2013 Page: 121-132
Author(s): Guang Hu, Jianhong Zhou, Wenying Yan, Jiajia Chen, Bairong Shen

Artificial Neural Networks for Efficient Clustering of Conformational Ensembles and their Potential for Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 5 Year: 2013 Page: 642-651
Author(s): Alessandro Pandini, Domenico Fraccalvieri, Laura Bonati

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