Pseudo-Improper-Dihedral Model for Intrinsically Disordered Proteins.

ABSTRACT: We present a new coarse-grained C_α-based protein model with a nonradial multibody pseudo-improper-dihedral potential that is transferable, time-independent, and suitable for molecular dynamics. It captures the nature of backbone and side-chain interactions between amino acid residues by adapting a simple improper dihedral term for a one-bead-per-residue model. It is parameterized for intrinsically disordered proteins and applicable to simulations of such proteins and their assemblies on millisecond time scales.

SUBMITTER: Mioduszewski L 

PROVIDER: S-EPMC7588027 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature