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physics.bio-ph2024
Compound Mutations in the Abl1 Kinase Cause Inhibitor Resistance by Shifting DFG Flip Mechanisms and Relative State Populations
Gabriel Monteiro da Silva, Kyle Lam, David C. Dalgarno +1
The intrinsic dynamics of most proteins are central to their function. Protein tyrosine kinases such as Abl1 undergo significant conformational changes that modulate their activity…
physics.bio-ph2023
Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold2
Gabriel Monteiro da Silva, Jennifer Y. Cui, David C. Dalgarno +2
This paper presents a novel approach for predicting the relative populations of protein conformations using AlphaFold 2, an AI-powered method that has revolutionized biology by ena…