AIMC Topic: Pancreatic alpha-Amylases
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Correlating enzymatic reactivity for different substrates using transferable data-driven collective variables.
Proceedings of the National Academy of Sciences of the United States of America
Nov 26, 2024
Machine learning (ML) is transforming the investigation of complex biological processes. In enzymatic catalysis, one significant challenge is identifying the reactive conformations (RC) of the enzyme:substrate complex where the substrate assumes a pr...
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