Web Interface for Brownian Dynamics Simulation of Ion Transport and Its Applications to Beta-Barrel Pores

Brownian dynamics (BD) in a suitably constructed potential of mean force is an efficient and accurate method for simulating ion transport through wide ion channels. Here, a web-based graphical user interface (GUI) is presented for grand canonical Monte Carlo (GCMC) BD simulations of channel proteins...

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Autori principali: Lee, Kyu Il, Jo, Sunhwan, Rui, Huan, Egwolf, Bernhard, Roux, Benoît, Pastor, Richard W., Im, Wonpil
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2011
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Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3240732/
https://ncbi.nlm.nih.gov/pubmed/22102176
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21952
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