Search Result "All-atom simulation"


Use of Coarse-Grained and All-Atom Molecular Dynamics to Study Hsp70 and Hsp40 Chaperone Action

Ebook: Frontiers in Structural Biology
Volume: 1 Year: 2018
Author(s): Ewa I. Gołas,Magdalena A. Mozolewska,Paweł Krupa,Cezary Czaplewski,Harold A. Scheraga,Adam Liwo
Doi: 10.2174/9781681086156118010004

Research Article open access plus

Targeting HIV-1 Envelope Proteins Using a Fragment Discovery All-Atom Computational Algorithm

Journal: Current Enzyme Inhibition
Volume: 13 Issue: 1 Year: 2017 Page: 20-26
Author(s): Michael H. Peters

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

ParDOCK: An All Atom Energy Based Monte Carlo Docking Protocol for Protein-Ligand Complexes

Journal: Protein & Peptide Letters
Volume: 14 Issue: 7 Year: 2007 Page: 632-646
Author(s): A. Gupta, A. Gandhimathi, P. Sharma, B. Jayaram

Research Article

Characterization of Atomic Surface Roughness in Nanometric Machining Molecular Dynamics (MD) Simulations

Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 31-39
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen

Modelling and Simulations of Nanomaterials

Ebook: Nanotechnology: A Quick Guide to Materials and Technologies
Volume: 1 Year: 2024
Author(s):
Doi: 10.2174/9789815256772124010009

Computer Simulation of Antimicrobial Peptides

Journal: Current Medicinal Chemistry
Volume: 14 Issue: 2 Year: 2007 Page: 2789-2798
Author(s): Edit Matyus, Christian Kandt, D. Peter Tieleman

Folding and Mis-Folding of Peptides and Proteins: Insights from Molecular Simulations

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 5 Issue: 4 Year: 2005 Page: 353-359
Author(s): Giacomo M.S. De Mori, Massimiliano Meli, Luca Monticelli, Giorgio Colombo

Molecular Dynamics Simulations and Analysis of ABC Transporters

Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 203-214
Author(s): Anthony M. George, Peter M. Jones

Monte Carlo Simulation

Ebook: Ion Implantation and Activation
Volume: 1 Year: 2013
Author(s): Kunihiro Suzuki
Doi: 10.2174/9781608057818113010006

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