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Mechanistic Dissection of Conformational Transitions in a Bicyclic Peptide via Molecular Modeling and Deep Learning

Hung, Ta I et al.
eScholarship · Papers · License: CC BY
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Abstract Molecular conformations play a critical role in determining molecular properties, such as membrane permeability, binding affinity, and ultimately therapeutic efficacy. Experimental and computational approaches can characterize conformations and provide insight into why certain conformations
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