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Predicting ligand binding affinity using on- and off-rates for the SAMPL6 SAMPLing challenge
Interest in ligand binding kinetics has been growing rapidly, as it is being discovered in more and more systems that ligand residence time is the crucial factor governing drug efficacy. Many enhanced sampling methods have been developed with the goal of predicting ligand binding rates (k(on)) and/o...
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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8299730/ https://ncbi.nlm.nih.gov/pubmed/30141102 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0149-3 |
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