Search Result "Molecular simulation studies"


Recent Progress in Molecular Dynamics Simulations of Dihydrofolate Reductase

Journal: Current Enzyme Inhibition
Volume: 8 Issue: 2 Year: 2012 Page: 140-149
Author(s): John E. Kerrigan,Emine Ercikan Abali,Joseph R. Bertino

Molecular Dynamics Simulations of CYP2E1

Journal: Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2012 Page: 208-221
Author(s): Jue Li, Dong-Qing Wei, Jing-Fang Wang, Zheng-Tian Yu, Kuo-Chen Chou

Recent Progress of Molecular Docking Simulations Applied to Development of Drugs

Journal: Current Bioinformatics
Volume: 7 Issue: 4 Year: 2012 Page: 352-365
Author(s): Linus Santana Azevedo,Fernanda Pretto Moraes,Mariana Morrone Xavier,Eduarda Ozorio Pantoja,Bianca Villavicencio,Jana Aline Finck,Audrey Menegaz Proenca,Kelen Beiestorf Rocha,Walter Filgueira de Azevedo

Molecular Dynamics Simulations of Membrane Proteins: Building Starting Structures and Example Applications

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 363-378
Author(s): Thomas H. Schmidt,Megan L. O'Mara,Christian Kandt

Study on Nanoimprint Formability Considering the Anti-adhesion Layer for (CH2)n Polymer by Molecular Dynamics Simulation

Journal: Current Nanoscience
Volume: 8 Issue: 3 Year: 2012 Page: 424-431
Author(s): Quang-Cherng Hsu,Yu-Ter Lin,Dun-Cin Chou,Cheng-Da Wu

Drug-Lipid Membrane Interaction Mechanisms Revealed Through Molecular Simulations

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 379-400
Author(s): Oana Cramariuc,Tomasz Rog,Ilpo Vattulainen

Malleability and Versatility of Cytochrome P450 Active Sites Studied by Molecular Simulations

Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 190-196
Author(s): Chris Oostenbrink, Anita de Ruiter, Jozef Hritz, Nico Vermeulen

Conformational Changes of the Protein Domains Upon Binding with Carbon Nanotubes Studied by Molecular Dynamics Simulations

Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 12-22
Author(s): Guanghong Zuo, Peng Xiu, Xin Zhou, Ruhong Zhou, Haiping Fang

Recent Applications of Replica-Exchange Molecular Dynamics Simulations of Biomolecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 401-412
Author(s): Yuji Sugita,Naoyuki Miyashita,Pai-Chi Li,Takao Yoda,Yuko Okamoto

A Closer Look into G Protein Coupled Receptor Activation: X-Ray Crystallography and Long-Scale Molecular Dynamics Simulations

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 8 Year: 2012 Page: 1135-1145
Author(s): S. Vanni, U. Rothlisberger

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