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Constraint methods that accelerate free-energy simulations of biomolecules
Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann’s law, so they can be used to compute populations, dynamics, and mechanisms....
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| Publicat a: | J Chem Phys |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4684272/ https://ncbi.nlm.nih.gov/pubmed/26723628 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4936911 |
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