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Simultaneous optimization of biomolecular energy function on features from small molecules and macromolecules
Most biomolecular modeling energy functions for structure prediction, sequence design, and molecular docking, have been parameterized using existing macromolecular structural data; this contrasts molecular mechanics force fields which are largely optimized using small-molecule data. In this study, w...
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| Publicado en: | J Chem Theory Comput |
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| Autores principales: | , , , , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2016
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5515585/ https://ncbi.nlm.nih.gov/pubmed/27766851 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00819 |
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