OpenFE 2024 Industry Benchmarking Project, Results from Boehringer Ingelheim, jacs_set jnk1 & ptpb1, charge_annihilation_set egfr & jnk1, scaffold_hopping factor_xa

Name: OpenFE 2024 Industry Benchmarking Project, Results from Boehringer Ingelheim, jacs_set jnk1 & ptpb1, charge_annihilation_set egfr & jnk1, scaffold_hopping factor_xa
Creator: Zenodo
Published: 2025-02-21T09:27:35+08:00

Zenodo2025-02-21 更新2026-05-26 收录

数据链接：

https://zenodo.org/doi/10.5281/zenodo.14904765 数据链接链接失效反馈

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资源简介：

OpenFE 2024 Industry Benchmarking Project. Results from systems jacs_set jnk1 and ptp1b, charge_annhilation_set egfr and scaffold_hopping_set factor_xa. OpenFE version v1.0.1. Simulation details can be found in the GitHub repository https://github.com/OpenFreeEnergy/IndustryBenchmarks2024

提供机构：

Zenodo

创建时间：

2025-02-21