Загрузка...

myPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme

Molecular dynamics (MD) is a promising computational approach to investigate dynamical behavior of molecular systems at the atomic level. Here, we present a new MD simulation engine named “myPresto/omegagene” that is tailored for enhanced conformational sampling methods with a non-Ewald electrostati...

Полное описание

Сохранить в:
Библиографические подробности
Опубликовано в: :Biophys Physicobiol
Главные авторы: Kasahara, Kota, Ma, Benson, Goto, Kota, Dasgupta, Bhaskar, Higo, Junichi, Fukuda, Ikuo, Mashimo, Tadaaki, Akiyama, Yutaka, Nakamura, Haruki
Формат: Artigo
Язык:Inglês
Опубликовано: The Biophysical Society of Japan (BSJ) 2016
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC5060096/
https://ncbi.nlm.nih.gov/pubmed/27924276
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2142/biophysico.13.0_209
Метки: Добавить метку
Нет меток, Требуется 1-ая метка записи!