Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models
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DOI: 10.1021/acs.jcim.3c00138
Abstract: Accelerated molecular dynamics (aMD) protocols were assessed on predicting the secondary structure of eight peptides, of which two are helical, three are β-hairpins, and three are disordered. Protocols consisted of combinations of three force fields… read more here.
Keywords: folding benchmarking; dynamics peptide; molecular dynamics; force fields ... See more keywords