Reservoir pH replica exchange

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 first step involves generation of one or more reservoirs of conformations. Each reservoir is obtained from a standard or enhanced molecular dynamics s...

Ful tanımlama

Kaydedildi:
Detaylı Bibliyografya
Yayımlandı:J Chem Phys
Asıl Yazarlar: Damjanovic, Ana, Miller, Benjamin T., Okur, Asim, Brooks, Bernard R.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: AIP Publishing LLC 2018
Konular:
Special Topic: Enhanced Sampling for Molecular Systems
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6005788/
https://ncbi.nlm.nih.gov/pubmed/30134701
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5027413
Etiketler: Etiketle
Etiket eklenmemiş, İlk siz ekleyin!

Benzer Materyaller