Plas-5k dataset
B. Korlepara, Divya;C.S, Vasavi;Jeurkar, Shruti;Pal, Pradeep;Roy, Subhajit;Mehta, Sarvesh;Sharma, Shubham;Kumar, Vishal;muvva, charuvaka;Sridharan, Bhuvanesh;Garg, Akshit;Modee, Rohit;Bhati, Agastya;Nayar, Divya;Priyakumar U, Deva
Description
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.
It should be noted that all the energy values are in kcal/mol unit.
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Metrics Over Time
Publication Details
DOI
Publisher
figshare
Subfield
Artificial Intelligence
Field
Computer Science
Domain
Physical Sciences
Confidence Score
45%
Source
Scholar Data Model
Keywords
Biophysics90399 Biomedical Engineering not elsewhere classifiedFOS: Medical engineering170203 Knowledge Representation and Machine LearningFOS: Psychology80110 Simulation and ModellingFOS: Computer and information sciences