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Coarse-grained Directed Simulation
Many free-energy sampling and quantum mechanics/molecular mechanics (QM/MM) computations on protein complexes have been performed where, by necessity, a single component is studied isolated in solution while its overall configuration is kept in the complex-like state by either rigid restraints or ha...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5649387/ https://ncbi.nlm.nih.gov/pubmed/28800392 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00690 |
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