Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"

Universitätsbibliothek Stuttgart 2026 Open access

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Authors: Viktoria Korn, Kristýna Pluháčková
DOI: 10.18419/darus-5682
Cited by: 0

Abstract

GROMACS simulation files, input and final structures for CHARMM36m MD simulations including our refined parameters for phosphorylated serine in 3 different protonation states. The directory charmm36-jul22mod.ff contains our refined parameters.

Fields of Study & Subjects

Protein Structure and Dynamics Advanced Physical and Chemical Molecular Interactions Computational Drug Discovery Methods

Publication details

Journal / source
Universitätsbibliothek Stuttgart
Publication date
22 January 2026
Language
EN