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

Review Article

Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 2 Year: 2017 Page: 2617-2625
Author(s):

Rational Prediction with Molecular Dynamics for Hit Identification

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2012 Page: 2002-2012
Author(s): Sara E. Nichols, Robert V. Swift, Rommie E. Amaro

The Multifaceted Roles of Molecular Dynamics Simulations in Drug Discovery

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 2 Year: 2016 Page: 3585-3600
Author(s): Stephen John Fox, Jianguo Li, Yaw Sing Tan, Minh N. Nguyen, Arumay Pal, Zohra Ouaray, Shilpa Yadahalli, Srinivasaraghavan Kannan

Molecular Dynamics and Structural Studies of the Ets Domain-DNA Complexes

Journal: Current Bioinformatics
Volume: 2 Issue: 3 Year: 2007 Page: 222-228
Author(s): Rafael A. Caceres, Claudia P. Nunes, Walter F. de Azevedo Jr., Luiz A. Basso, Diogenes S. Santos

Protonation States in Molecular Dynamics Simulations of Peptide Folding and Binding

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4173-4181
Author(s): Avraham Ben- Shimon, Deborah E. Shalev, Masha Y. Niv

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

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 2 Year: 2012 Page: 2946-2963
Author(s): Julio Caballero, Jans H. Alzate-Morales

Multiscale Molecular Dynamics of Protein Aggregation

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa

Deciphering the Flexibility and Dynamics of Geobacillus zalihae Strain T1 Lipase at High Temperatures by Molecular Dynamics Simulation (Supplementary Material)

Journal: Protein & Peptide Letters
Volume: 16 Issue: 1 Year: 2009 Page: 1360-1370
Author(s): Mohd Basyaruddin Abdul Rahman, Roghayeh Abedi Karjiban, Abu Bakar Salleh, Donald Jacobs, Mahiran Basri, Adam Leow Thean Chor, Habibah Abdul Wahab, Raja Noor Zaliha Raja Abd Rahman

Review Article

Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1755-1768
Author(s): Ahmad Abu Turab Naqvi,Taj Mohammad,Gulam Mustafa Hasan,Md. Imtaiyaz Hassan

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