Pseudo-Improper-Dihedral Model for Intrinsically Disordered Proteins.
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ABSTRACT:
SUBMITTER: Mioduszewski L
PROVIDER: S-EPMC7588027 | biostudies-literature | 2020 Jul
REPOSITORIES: biostudies-literature
Publications
Pseudo-Improper-Dihedral Model for Intrinsically Disordered Proteins.
Mioduszewski Łukasz Ł Różycki Bartosz B Cieplak Marek M
Journal of chemical theory and computation 20200612 7
We present a new coarse-grained C<sub>α</sub>-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 ...[more]
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