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Parallel Generalized Born Implicit Solvent Calculations with NAMD

Accurate electrostatic descriptions of aqueous solvent are critical for simulation studies of bio-molecules, but the computational cost of explicit treatment of solvent is very high. A computationally more feasible alternative is a generalized Born implicit solvent description which models polar sol...

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Dettagli Bibliografici
Autori principali: Tanner, David E., Chan, Kwok-Yan, Phillips, James C., Schulten, Klaus
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2011
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3222955/
https://ncbi.nlm.nih.gov/pubmed/22121340
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200563j
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