Published June 16, 2022
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Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files
Creators
- 1. University of Bristol
- 2. CiTIUS Intelligent Technologies Research Centre
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.
Files
ESI-files.zip
Files
(52.5 MB)
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