/tools/peptidesim

peptidesim

ur-whitelab/peptidesim

GitHub
simulationpeptidetoolmolecular-dynamics
8 stars1 forksPythonAdded February 8, 2026
summary

PeptideSim is an automated tool designed for simulating peptides using GROMACS. It facilitates various molecular dynamics simulations, including energy minimization and equilibration, making it a valuable resource for researchers in molecular biology and computational chemistry.

description

Automated peptide simulation tool with gromacs, gromacswrapper, plumed

topics

molecular-dynamicspeptidesgromacs

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