Automated Author Profile

Paton, James C.

Univ of Adelaide
0000-0001-9807-5278

Current S-Index

0.9

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

0.4

Average Dataset Index per dataset

Total Datasets

2

Total datasets for this author

Average FAIR Score

76.9%

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

Peptidomimetics-based identification of FDA approved compounds inhibiting IRE1 activity: Simulation Data

Protocols and data sets for docking and MD simulations of Methotrexate, Cefoperazone, Folinic acd and Folic acid interaction with IRE1. All docking data based on Glide (Schrödinger), and all MD simulations are based on the Gromacs software. 2D interaction maps from the initial docking of the four molecules to the four Lysine sites, and from snapshots every 100 ns of the 500 ns MD simulations of the molecules interacting with Lys599 (kinase site) and Lys907 (RNase site). 2D interaction maps produced using Schrödinger.

Authors

  • Doultsinos, Dimitrios ;
  • Carlesso, Antonio ;
  • Chintha, Chetan ;
  • Rainot, Aurianne ;
  • Paton, James C. ;
  • Paton, Adrienne W. ;
  • Samali, Afshin ;
  • Chevet, Eric ;
  • Eriksson Leif, A.
0 Citations0 Mentions77% FAIR0.4 Dataset Index
10.5281/zenodo.35676512019

Peptidomimetics-based identification of FDA approved compounds inhibiting IRE1 activity: Simulation Data

Protocols and data sets for docking and MD simulations of Methotrexate, Cefoperazone, Folinic acd and Folic acid interaction with IRE1. All docking data based on Glide (Schrödinger), and all MD simulations are based on the Gromacs software. 2D interaction maps from the initial docking of the four molecules to the four Lysine sites, and from snapshots every 100 ns of the 500 ns MD simulations of the molecules interacting with Lys599 (kinase site) and Lys907 (RNase site). 2D interaction maps produced using Schrödinger.

Authors

  • Doultsinos, Dimitrios ;
  • Carlesso, Antonio ;
  • Chintha, Chetan ;
  • Rainot, Aurianne ;
  • Paton, James C. ;
  • Paton, Adrienne W. ;
  • Samali, Afshin ;
  • Chevet, Eric ;
  • Eriksson Leif, A.
0 Citations0 Mentions77% FAIR0.4 Dataset Index
10.5281/zenodo.35676502019