Search Results - "Hoti, Art"
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When Data Are Lacking: Physics-Based Inverse Design of Biopolymers Interacting with Complex, Fluid Phases
Published in Journal of chemical theory and computation (12-03-2024)“…Biomolecular research traditionally revolves around comprehending the mechanisms through which peptides or proteins facilitate specific functions, often driven…”
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Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV-2 Targets
Published in Journal of chemical theory and computation (29-05-2023)“…Not provided…”
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Journal Article -
3
Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV‑2 Targets
Published in Journal of chemical theory and computation (13-06-2023)“…We subject a series of five protein–ligand systems which contain important SARS-CoV-2 targets, 3-chymotrypsin-like protease (3CLPro), papain-like protease, and…”
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Journal Article