Replication data for: Introducing the Automated Ligand Searcher (ALISE)
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资源简介：
Minimal dataset containing input and log files necessary to reproduce all simulations performed. Trajectories and restart filles were omitted. The seed used for the Langevin thermostat of the Molecular Dynamics Simulations can be found in the respective logfile. For a software availiability statement, see the paper.
创建时间：
2023-01-01
