Reservoir pH replica exchange

Damjanovic, A; Miller, BT; Okur, A; Brooks, BR

Damjanovic, A (reprint author), Johns Hopkins Univ, Dept Biophys, 3400 N Charles St, Baltimore, MD 21218 USA.; Damjanovic, A (reprint author), NHLBI, Lab Computat Biol, NIH, Bethesda, MD 20892 USA.

JOURNAL OF CHEMICAL PHYSICS, 2018; 149 (7):

Abstract

We present the reservoir pH replica exchange (R-pH-REM) method for constant pH simulations. The R-pH-REM method consists of a two-step procedure; the ......

Full Text Link


Links

期刊讨论 | 中国SCI论文 | 期刊主页 | 投稿经验 | 杂志官网 | 投稿链接 | 作者需知 | PMC链接 | Pubmed全文检索