Search Result "docking and dynamic simulations."


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 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 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

Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics Simulations

Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 177-189
Author(s): Tereza Hendrychova, Karel Berka, Veronika Navratilova, Pavel Anzenbacher, Michal Otyepka

Rational Prediction with Molecular Dynamics for Hit Identification

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2002-2012
Author(s): Sara E. Nichols,Robert V. Swift,Rommie E. Amaro

Druggability of Dynamic Protein-protein Interfaces

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 30 Year: 2012 Page: 4599-4606
Author(s): Ozlem Ulucan,Susanne Eyrisch,Volkhard Helms

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

Molecular Dynamics of Protein Kinase-Inhibitor Complexes: A Valid Structural Information

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 20 Year: 2012 Page: 2946-2963
Author(s): Julio Caballero,Jans H. Alzate-Morales

Targeting the Epidermal Growth Factor Receptor: Exploring the Potential of Novel Inhibitor N-(3-Ethynylphenyl)-6, 7-bis (2-methoxyethoxy) Quinolin- 4-Amine Using Docking and Molecular Dynamics Simulation

Journal: Protein & Peptide Letters
Volume: 19 Issue: 9 Year: 2012 Page: 955-968
Author(s): Shipra Gupta,Gauri Misra,Mohan Chandra Pant,Prahlad Kishore Seth

Computational Modeling and Simulation of the Bcl-2 Family: Paving the Way for Rational Drug Design

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 3 Year: 2012 Page: 6081-6094
Author(s): J. L. Rosas-Trigueros, I. Ilizaliturri-Flores, C. G. Benitez-Cardoza, J. Correa-Basurto, A. Zamorano-Carrillo

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