The journal of physical chemistry. BProtein FoldingProteinsProtein ConformationModelsMolecular
Improvement of Protein Structure Modeling Upon Coarse Grained Force Field Augmentation with Multitorsional Potentials Demonstrates the Significance of Along-Chain Coupling of Local Conformational States in Protein Folding.
Elizaveta F Petrusevich, Adam Liwo
Published: 202510.1021/acs.jpcb.5c06554
Abstract
Continuing our work (Petrusevich, E. F.; Liwo, A. J. Phys. Chem. B 2025, 129, 7119-7133), in which the multitorsional potentials accounting for α-helix formation cooperativity, Umtorf, have been implemented in the coarse-grained UNRES force field, we…
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