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Implementation of Accelerated Molecular Dynamics in NAMD
Accelerated molecular dynamics (aMD) is an enhanced-sampling method that improves the conformational space sampling by reducing energy barriers separating different states of a system. Here we present the implementation of aMD in the parallel simulation program NAMD. We show that aMD simulations per...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3115733/ https://ncbi.nlm.nih.gov/pubmed/21686063 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/1749-4699/4/1/015002 |
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