Results 191 to 200 of about 15,544 (215)

Boosting the Optimization of Lithium Metal Batteries by Molecular Dynamics Simulations: A Perspective

Advanced Energy Materials, 2020
Yawen Sun, Tingzhou Yang, Haoqing Ji
exaly  

Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

Journal of Biomolecular Structure and Dynamics, 2020
Jingxuan Zhu, Jiarui Han, Weiwei Han
exaly  

Membrane permeability of small molecules from unbiased molecular dynamics simulations

Journal of Chemical Physics, 2020
Andreas Kramer, An Ghysels, Eric Wang
exaly  

Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

Chemical Reviews, 2015
Elizabeth Brunk, Ursula Röthlisberger
exaly  

Molecular mechanics and molecular dynamics simulations of porphyrins, metalloporphyrins, heme proteins and cobalt corrinoids

Coordination Chemistry Reviews, 2002
Helder M Marques, Kenneth L Brown
exaly  

Editorial on molecular dynamics simulations

Proteins: Structure, Function, and Genetics, 2001
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Molecular dynamics simulation

This is a course document for introducing molecular dynamics originally developed as part of the Master in Bioinformatics curriculum at the Higher Institute of Biotechnology of Sidi Thabet, under the auspices of the University of Manouba, Tunisia, but could serve any person interested in structural bioinformatics and molecular modeling.
openaire   +1 more source

Molecular Dynamics Simulation

2017
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Lipid Membrane Structure and Dynamics Studied by All-Atom Molecular Dynamics Simulations of Hydrated Phospholipid Bilayers

Molecular Simulation, 1993
Terry R Stouch
exaly  

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

Proceedings of the National Academy of Sciences of the United States of America, 2006
Viktor Horňák, Asim Okur, Robert C Rizzo   +2 more
exaly