Загрузка...

Computations of Standard Binding Free Energies with Molecular Dynamics Simulations

An increasing number of studies have reported computations of the absolute binding free energy of small ligands to proteins using molecular dynamics (MD) simulations with results that are in good agreement with experiments. This encouraging progress suggests that physics-based approaches hold the pr...

Полное описание

Сохранить в:
Библиографические подробности
Главные авторы: Deng, Yuqing, Roux, Benoît
Формат: Artigo
Язык:Inglês
Опубликовано: 2009
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC3837708/
https://ncbi.nlm.nih.gov/pubmed/19146384
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp807701h
Метки: Добавить метку
Нет меток, Требуется 1-ая метка записи!