Additional file 3 of Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery

Name: Additional file 3 of Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery
Creator: Kutchukian, Peter S.; Yang, Fei; Fang, Jian; Liu, Lulu; Shen, Lingling; Wang, He; Jenkins, Jeremy L.
Published: 2024-08-15 00:00:00
License: 暂无描述

Figshare2024-08-15 更新2026-04-08 收录

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https://springernature.figshare.com/articles/dataset/Additional_file_3_of_Pocket_Crafter_a_3D_generative_modeling_based_workflow_for_the_rapid_generation_of_hit_molecules_in_drug_discovery/26696523/1

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资源简介：

Additional file 3. MOE GBVI/WSA ΔG calculation shell script (sh).

提供机构：

Kutchukian, Peter S.; Yang, Fei; Fang, Jian; Liu, Lulu; Shen, Lingling; Wang, He; Jenkins, Jeremy L.

创建时间：

2024-08-15