PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
oleh: Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar, Pradeep Kumar Pal, Subhajit Roy, Sarvesh Mehta, Shubham Sharma, Vishal Kumar, Charuvaka Muvva, Bhuvanesh Sridharan, Akshit Garg, Rohit Modee, Agastya P. Bhati, Divya Nayar, U. Deva Priyakumar
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2022-09-01 |
Deskripsi
Measurement(s) Binding Affinity Technology Type(s) Molecular dynamics simulation/MM-PBSA Factor Type(s) 3D-protein structures Sample Characteristic - Organism NA Sample Characteristic - Environment NA Sample Characteristic - Location NA