Search Result "molecular dynamics simula-tion"


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

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

Insights into Aβ Aggregation: A Molecular Dynamics Perspective

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 2 Year: 2012 Page: 2596-2610
Author(s): Joan-Emma Shea, Brigita Urbanc

New Insights in Protein Kinase Conformational Dynamics

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1889-1895
Author(s): Giorgio Saladino,Francesco Luigi Gervasio

Structural and Dynamic Properties of Incomplete Immunoglobulin-like Fold Domains

Journal: Protein & Peptide Letters
Volume: 19 Issue: 10 Year: 2012 Page: 1045-1053
Author(s): Rita Berisio,Luciano Ciccarelli,Flavia Squeglia,Alfonso De Simone,Luigi Vitagliano

Bridging the Gap Between Optical Spectroscopic Experiments and Computer Simulations for Fast Protein Folding Dynamics

Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 45-58
Author(s): Raymond Z. Cui, Daniel-Adriano Silva, Jian Song, Gregory R. Bowman, Wei Zhuang, Xuhui Huang

A Pharmacophore Model Specific to Active Site of CYP1A2 with a Novel Molecular Modeling Explorer and CoMFA

Journal: Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2012 Page: 198-207
Author(s): Hitesh K. Agarwal, Gustavo F. Doncel, Keykavous Parang

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

Dynamic Factors Controlling Targeting Nanocarriers to Vascular Endothelium

Journal: Current Drug Metabolism
Volume: 13 Issue: 1 Year: 2012 Page: 70-81
Author(s): Vladimir R. Muzykantov, Ravi Radhakrishnan, David M. Eckmann

Tell Me Something I Do Not Know. Multiscale Molecular Modeling of Dendrimer/ Dendron Organization and Self-Assembly In Gene Therapy

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 29 Year: 2012 Page: 5062-5087
Author(s): P. Posocco,E. Laurini,V. Dal Col,D. Marson,K. Karatasos,M. Fermeglia,S. Pricl

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