PyMACS: A python-based automation suite for GROMACS molecular dynamics setup, simulation, and analysis.

Schulz JM, Reynolds RC, Schürer SC

DOI: 10.1016/j.ejmech.2026.119038
Published: 2026 Oct 15
Container: European journal of medicinal chemistry
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1016/j.ejmech.2026.119038,
  title = {PyMACS: A python-based automation suite for GROMACS molecular dynamics setup, simulation, and analysis.},
  author = {Schulz JM and Reynolds RC and Schürer SC},
  year = {2026},
  journal = {European journal of medicinal chemistry},
  doi = {10.1016/j.ejmech.2026.119038},
  url = {https://doi.org/10.1016/j.ejmech.2026.119038}
}

RIS

TY  - JOUR
TI  - PyMACS: A python-based automation suite for GROMACS molecular dynamics setup, simulation, and analysis.
AU  - Schulz JM
AU  - Reynolds RC
AU  - Schürer SC
PY  - 2026
JO  - European journal of medicinal chemistry
DO  - 10.1016/j.ejmech.2026.119038
UR  - https://doi.org/10.1016/j.ejmech.2026.119038
ER  -

APA

JM, S., RC, R., & SC, S. (2026). PyMACS: A python-based automation suite for GROMACS molecular dynamics setup, simulation, and analysis.. European journal of medicinal chemistry. https://doi.org/10.1016/j.ejmech.2026.119038

Source records

pubmed · retrieved 2026-09-25T12:55:18.823Z