Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files

Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information about the file structure and contents can be found in meta.txt.

DOI: 10.5281/zenodo.6659616.svg

Location: https://zenodo.org/records/6659616

Resository: https://zenodo.org

Start date: 2022-06-18 00:00:00 UTC

End date:

Related Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality

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