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Acceleration of Biomolecular Kinetics in Gaussian Accelerated Molecular Dynamics
Recent studies demonstrated that Gaussian accelerated molecular dynamics (GaMD) is a robust computational technique, which provides simultaneous unconstrained enhanced sampling and free energy calculations of biomolecules. However, the exact acceleration of biomolecular dynamics or speedup of kineti...
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| Gepubliceerd in: | J Chem Phys |
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| Hoofdauteur: | |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2018
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6901173/ https://ncbi.nlm.nih.gov/pubmed/30134710 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5024217 |
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