Protein Conformational States—A First Principles Bayesian Method <sup>†</sup>
Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naïve Bayes classifier from the machine learning community for use on atom-to-atom pairwise contacts. The...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-10-01
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| Series: | Entropy |
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| Online Access: | https://www.mdpi.com/1099-4300/22/11/1242 |