Automated Author Profile

C.S, Vasavi

Current S-Index

2.6

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

0.6

Average Dataset Index per dataset

Total Datasets

4

Total datasets for this author

Average FAIR Score

84.6%

Average FAIR Score per dataset

Total Citations

0

Total citations to the author's datasets

Total Mentions

0

Total mentions of the author's datasets

S-Index Interpretation

S-Index Over Time

Cumulative Citations Over Time

Cumulative Mentions Over Time

Datasets

Plas-5k Initial Structures

The 7zip file contains the initial structure of all the 5000 protein-ligand complexes in pdb format. For inorganic ligand the residue name is "LIG". For peptide ligand, the sequence will be bound by last OXT and 2nd last OXT atom. Also the water molecules and Na+ and Cl- ions were removed, as they will mostly be unnecessary for ML training and it will save storage space.

Authors

  • 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
0 Citations0 Mentions85% FAIR0.6 Dataset Index
10.6084/m9.figshare.190695952022

Plas-5k dataset

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.

Authors

  • 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
0 Citations0 Mentions85% FAIR0.7 Dataset Index
10.6084/m9.figshare.190696042022

Plas-5k dataset

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.

Authors

  • 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
0 Citations0 Mentions85% FAIR0.7 Dataset Index
10.6084/m9.figshare.19069604.v12022

Plas-5k Initial Structures

The 7zip file contains the initial structure of all the 5000 protein-ligand complexes in pdb format. For inorganic ligand the residue name is "LIG". For peptide ligand, the sequence will be bound by last OXT and 2nd last OXT atom. Also the water molecules and Na+ and Cl- ions were removed, as they will mostly be unnecessary for ML training and it will save storage space.

Authors

  • 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
0 Citations0 Mentions85% FAIR0.6 Dataset Index
10.6084/m9.figshare.19069595.v12022