OpenFE 2024 Industry Benchmarking Project, Results from Janssen, public sets
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https://zenodo.org/record/14507784
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资源简介：
OpenFE 2024 Industry Benchmarking Project. Results from systems fragments_mcl1, fragments_t4_lysozyme, waterset_chk1, waterset_hsp90_kung, waterset_taf12, waterset_thrombin, waterset_hsp90_woodhead, waterset_scytalone_dehydratase, waterset_urokinase. OpenFE version v1.0.1. Simulation details can be found in the GitHub repository https://github.com/OpenFreeEnergy/IndustryBenchmarks2024
创建时间：
2024-12-18
