ロード中...

Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange

A computational tool that offers accurate pK(a) values and atomically detailed knowledge of protonation-coupled conformational dynamics is valuable for elucidating mechanisms of energy transduction processes in biology such as enzyme catalysis, electron transfer, as well as proton and drug transport...

詳細記述

保存先:
書誌詳細
出版年:J Chem Theory Comput
主要な著者: Wallace, Jason A., Shen, Jana K.
フォーマット: Artigo
言語:Inglês
出版事項: 2011
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC6425487/
https://ncbi.nlm.nih.gov/pubmed/26606635
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200146j
タグ: タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!