BioSimDB (Biomolecular Simulations Database)
Topology, trajectory, and AiiDA data provenance files from molecular dynamics simulations of biomolecules are stored in a repository specifically designed for their preservation and accessibility.
This resource is part of the BioSim (Biomolecular Simulations) Data Resources & OPTIMADE Providers' Datasets resource themes.
How to Access
Creators
Linked Resources
Publisher
Access
Open Access
License
Contact
Citation
Please cite: James Gebbie-Rayet and Jas Kalayan. BioSimDB (Biomolecular Simulations Database). Online. 31 March 2025. Available from: https://resources.psdi.ac.uk/data/bc930fa5-63da-4707-80f8-3c642960796a. [accessed YYYY-MM-DD]. Please also follow the citation guidelines associated with the licensing of each record, including any permanent identifier and the creator(s) of the record.
Keywords and Subjects
PSDI-pathfinder
molecular dynamics
biomolecular simulation
trajectory
gromacs
amber
namd
lammps
protein dynamics
drug discovery
pdb
biomolecules
proteins
dna
membranes
provenance
enhanced sampling
metadynamics
free energy
alchemical free energy
protein folding
alphafold
machine learning
database
data storage
structural biology
computational biology
computational biochemistry
computational chemistry