Using Big Data Analytics to “Back Engineer” Protein Conformational Selection Mechanisms
In the living cells, proteins bind small molecules (or “ligands”) through a “conformational selection” mechanism, where a subset of protein structures are capable of binding the small molecules well while most other protein structures are not capable of such binding. The present work uses machine le...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2022-04-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/27/8/2509 |