Speed of Conformational Change: Comparing Explicit and Implicit Solvent Molecular Dynamics Simulations

Adequate sampling of conformation space remains challenging in atomistic simulations, especially if the solvent is treated explicitly. Implicit-solvent simulations can speed up conformational sampling significantly. We compare the speed of conformational sampling between two commonly used methods of...

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Detaylı Bibliyografya
Yayımlandı:Biophys J
Asıl Yazarlar: Anandakrishnan, Ramu, Drozdetski, Aleksander, Walker, Ross C., Onufriev, Alexey V.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: The Biophysical Society 2015
Konular:
Proteins and Nucleic Acids
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC4375717/
https://ncbi.nlm.nih.gov/pubmed/25762327
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2014.12.047
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