Dry trajectories of SARS-CoV-2 RBD from accelerated molecular dynamics simulation
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资源简介：
These are supplementary files to the preprint/paper "SARS-CoV-2 spike protein unlikely to bind to integrins via the Arg-Gly-Asp (RGD) motif of the Receptor Binding Domain: evidence from structural analysis and microscale accelerated molecular dynamics" (http://dx.doi.org/10.1101/2021.05.24.445335). The attached code in Jupyter notebook can be run after installing the virtual environment using the `environment.yml ` The file `data.zip` needs to be extracted to the same path where the notebook is run from
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Wits University创建时间：
2021-12-13
