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An unexpected switch in peptide binding mode: from simulation to substrate specificity
A ten microsecond molecular dynamics simulation of a kallikrein-related peptidase 7 peptide complex revealed an unexpected change in binding mode. After more than two microseconds unrestrained sampling we observe a spontaneous transition of the binding pose including a 180° rotation around the P1 re...
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| Publicado no: | J Biomol Struct Dyn |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Taylor & Francis
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6334781/ https://ncbi.nlm.nih.gov/pubmed/29210603 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2017.1407674 |
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