A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein–protein interaction with an all-atom model in explicit solvent-Reference-Cited by-同舟云学术

A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein–protein interaction with an all-atom model in explicit solvent

Published:2013-05-14 Issue:18 Volume:138 Page:184106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Higo Junichi,Umezawa Koji,Nakamura Haruki

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4803468

Reference55 articles.

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4. Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias

5. Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

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