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Computing Protein−Protein Association Affinity with Hybrid Steered Molecular Dynamics
Computing protein-protein association affinities is one of the fundamental challenges in computational biophysics/biochemistry. The overwhelming amount of statistics in the phase space of very high dimensions cannot be sufficiently sampled even with today's high-performance computing power. In...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4565455/ https://ncbi.nlm.nih.gov/pubmed/26366131 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00340 |
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