Reliability and Reproducibility Checklist for Molecular Dynamics Simulations.

(2023). Reliability and Reproducibility Checklist for Molecular Dynamics Simulations. Communications Biology, 023-04653.

Type

Journal article

Intellectual base

Primary research

Year

2023

DOI

10.1038/s42003-023-04653-0

Link

https://www.nature.com/articles/s42003-023-04653-0

Cited by

1 citation across 1 artifact.

Domain-specific

• Molecular Dynamics
  • … force fields, constraints, long-range electrostatics, integrators, and parallel computation into one workflow. The trajectory can generate hypotheses and mechanistic interpretations, but biomolecular studies must justify model resolution, force field, sampling timescale, convergence, and relationship to experiment.

Verification

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Registry ID ref:eb2779a2c72f · see in the full table