Plas-5k dataset

Name: Plas-5k dataset
Creator: Sridharan, Bhuvanesh; Sharma, Shubham; Priyakumar U, Deva; Modee, Rohit; C.S, Vasavi; Jeurkar, Shruti; Roy, Subhajit; Bhati, Agastya; B. Korlepara, Divya; muvva, charuvaka; Mehta, Sarvesh; Garg, Akshit; Nayar, Divya; Pal, Pradeep; Kumar, Vishal
Published: 2022-07-27T00:00:00+08:00

Figshare2022-07-27 更新2026-04-08 收录

蛋白质-配体相互作用

结合自由能

数据链接：

https://figshare.com/articles/dataset/Plas-5k_dataset/19069604/1 数据链接链接失效反馈

官方服务：

资源简介：

This CSV file contains the Binding Affinity and other important features obtained by simulating 5000 protein-ligand complexes. The calculations were performed using MM-PBSA. <br>It should be noted that all the energy values are in kcal/mol unit.

提供机构：

Sridharan, Bhuvanesh; Sharma, Shubham; Priyakumar U, Deva; Modee, Rohit; C.S, Vasavi; Jeurkar, Shruti; Roy, Subhajit; Bhati, Agastya; B. Korlepara, Divya; muvva, charuvaka; Mehta, Sarvesh; Garg, Akshit; Nayar, Divya; Pal, Pradeep; Kumar, Vishal

创建时间：

2022-07-27