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Gaussian Accelerated Molecular Dynamics in NAMD
[Image: see text] Gaussian accelerated molecular dynamics (GaMD) is a recently developed enhanced sampling technique that provides efficient free energy calculations of biomolecules. Like the previous accelerated molecular dynamics (aMD), GaMD allows for “unconstrained” enhanced sampling without the...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2016
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5743237/ https://ncbi.nlm.nih.gov/pubmed/28034310 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00931 |
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