most citedPerforming all-atom molecular dynamics simulations of intrinsically disordered proteins with replica exchange solute tempering

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physics.chem-ph2025★ 2 cited

Performing all-atom molecular dynamics simulations of intrinsically disordered proteins with replica exchange solute tempering

Jaya Krishna Koneru, Korey M. Reid, Paul Robustelli

All-atom molecular dynamics (MD) computer simulations are a valuable tool for characterizing the conformational ensembles of intrinsically disordered proteins (IDPs). IDP conformat…