rihabmahjoub/BioMD_AutomatedWorkflow: BioMD AutomatedWorkflow : An Automated Pipeline for Protein–Ligand Molecular Dynamics

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Rihab Mahjoub
DOI: 10.5281/zenodo.18649999
Cited by: 0

Abstract

Automated protein–ligand molecular dynamics workflow with GROMACS and MDAnalysis, including automated analysis and visualization.

Fields of Study & Subjects

Computational Drug Discovery Methods Protein Structure and Dynamics Scientific Computing and Data Management

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
15 February 2026
Language
EN