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A protocol for preparing explicitly solvated systems for stable molecular dynamics simulations
Before beginning the production phase of molecular dynamics simulations, i.e., the phase that produces the data to be analyzed, it is often necessary to first perform a series of one or more preparatory minimizations and/or molecular dynamics simulations in order to ensure that subsequent production...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7413747/ https://ncbi.nlm.nih.gov/pubmed/32770927 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0013849 |
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