Search Result "Steered molecular dynamics."


Steered Molecular Dynamics-A Promising Tool for Drug Design

Journal: Current Bioinformatics
Volume: 7 Issue: 4 Year: 2012 Page: 342-351
Author(s): Mai Suan Li,Binh Khanh Mai

Drug Design Benefits from Molecular Dynamics: Some Examples

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 532-546
Author(s): Ji-Long Zhang,Qing-Chuan Zheng,Wen-Ting Chu,Hong-Xing Zhang

Molecular Dynamics Simulation in RNA Interference

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 17 Year: 2014 Page: 1968-1975
Author(s): Xia Wang,Yonghua Wang,Lei Zheng,Jianxin Chen

Review Article

Roles of Accelerated Molecular Dynamics Simulations in Predictions ofBinding Kinetic Parameters

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 24 Issue: 14 Year: 2024 Page: 1323-1333
Author(s):

Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery

Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004

Molecular Simulation in Drug Design: An Overview of Molecular Dynamics Methods

Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010009

Review Article

Molecular Mechanism of Tau Misfolding and Aggregation: Insightsfrom Molecular Dynamics Simulation

Journal: Current Medicinal Chemistry
Volume: 31 Issue: 20 Year: 2024 Page: 2855-2871
Author(s):

Review Article

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

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2617-2625
Author(s): Gerard Martínez-Rosell,Toni Giorgino,Matt J. Harvey,Gianni de Fabritiis

Molecular Dynamics Simulations of Kv Channels and Gating-Modifier Peptide Toxins

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 3 Year: 2009 Page: 155-173
Author(s): Kazuhisa Nishizawa

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

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