Search Result "steered molecular dynamics (SMD)"
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
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
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 MartÃnez-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 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):
Investigating the Mechanical Properties and Flexibility of N-BAR Domainsin PICK1 by Molecular Dynamics Simulations
Journal: Current Protein & Peptide Science
Volume: 24 Issue: 10 Year: 2023 Page: 865-877
Author(s): Amy O. Stevens
Molecular Dynamics as a Tool in Rational Drug Design: Current Status and Some Major Applications
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 225-240
Author(s): Roberta Galeazzi
Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics Simulations
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 16 Issue: 14 Year: 2016 Page: 1112-1124
Author(s): Jacopo Sgrignani,Andrea Cavalli,Giorgio Colombo,Alessandra Magistrato
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us?
Journal: Current Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2010 Page: 25-41
Author(s): G. Morra, A. Genoni, M. A.C. Neves, K. M. Merz Jr., G. Colombo