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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

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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. GoÅas,Magdalena A. Mozolewska,PaweÅ Krupa,Cezary Czaplewski,Harold A. Scheraga,Adam Liwo
Doi: 10.2174/9781681086156118010004

Modelling and Simulations of Nanomaterials

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

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

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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

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

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Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design

Journal: Current Medicinal Chemistry
Volume: 23 Issue: 34 Year: 2016 Page: 3909-3924
Author(s): Maricarmen HernÃ¡ndez-RodrÃguez,Martha C. Rosales-HernÃ¡ndez,Jessica E. Mendieta-Wejebe,Marlet MartÃnez-Archundia,JosÃ© Correa Basurto

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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

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Modeling and Simulation Techniques Used in Micro and Nanotechnology and Manufacturing

Journal: Micro and Nanosystems
Volume: 1 Issue: 2 Year: 2009 Page: 105-115
Author(s): D. E. Manolakos, A. P. Markopoulos

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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

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