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© Research
Publication : Nature Methods

Promoting transparency and reproducibility in enhanced molecular simulations

Team: Computational Structural Biology
Member: Max Bonomi
Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Nature Methods - 01 Jul 2019

The PLUMED consortium

Nature Methods 16, 670–673 (2019)

The PLUMED consortium is an open community that unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics (MD) simulations. This commentary outlines the consortium’s efforts to promote transparency and scientific reproducibility by disseminating protocols for enhanced-sampling molecular simulations.