Molecular Dynamics Data: Xenon Explores Apparent and Cryptic Binding Sites

File specification xe_protien*.zip: MD data for checking if the xenon model can be located in known xenon-binding sites. xe_CB*.zip: MD data with xenon ben_CB*.zip: MD data with benzene How to use a trajectory I assume that you have installed PyMOL. To view a trajectory, after launching PyMOL, execute the following lines: load ref_nowat.pdb load_trj npt_prod_[ID]_nowat.xtc Whenever you want to analyse a trajectory by yourself, you can use xtc files with their corresponding reference pdbs. Get in touch If you have any questions, please contact me by writing to the corresponding author on my work: Iida, S. Xenon Explores Apparent and Cryptic Binding Sites. bioRxiv 2025, 2025.04.30.651394. https://doi.org/10.1101/2025.04.30.651394. Citation If you are using my data, please consider citing my work: Iida, S. Xenon Explores Apparent and Cryptic Binding Sites. bioRxiv 2025, 2025.04.30.651394. https://doi.org/10.1101/2025.04.30.651394. Funding This work was supported by Kitasato University Academic Research Encouragement Fund. The computation was performed using the Research Center for Computational Science, Okazaki, Japan (Project: 24-IMS-C128).