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Jianan Sun

University of California, RiversideORCID 0000-0003-4774-6873Unclaimed ORCID profile · follow to get notified of new preprints

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Jianan Sun1 paper

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Biochemistry· 1

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Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Assay:structural biology· 1

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Chia‐en A. ChangiD· 1 shared Emily Vig· 1 shared

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Chia‐en A. ChangORCID

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BiochemistryBiochemistryPeer-reviewedFeb 10, 2025

Pathway Specific Unbinding Free Energy Profiles of Ritonavir Dissociation From HIV-1 Protease

Emily Vig, Jianan Sun, Chia‐en A. Chang

This study analyzes ritonavir dissociation from HIV-1 protease using molecular dynamics simulations to identify pathways and free energy landscapes, revealing the role of hydrogen bonding and residue correlations in unbinding mechanisms.

DOI 10.1021/acs.biochem.4c00560

structural biologymechanistic / dynamical model

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