Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
Binding and unbinding kinetics are important determinants of protein-protein or small molecule protein functional interactions that can guide drug development. Here the authors exploit the multi-ensemble Markov model framework to develop a computational approach that allows the estimation of binding...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2017-10-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-017-01163-6 |