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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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| Main Authors: | , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2011
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| Teme: | |
| Online dostop: | 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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