ChooseLD

This page provides the supplymental data for the papar submitting to

Biophysics and Physicobiology

Data driven score tuning for ChooseLD, structure-Based Drug Design algorithm with empirical scoring, and evalueation of ligand-protein docking prodictability.

Akihiro Masuda1, Mitsuo Iwadate2

1 Department of Biological Sciences, Graduate School of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan

2 Department of Biological Sciences, Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan

 

Schematic illustration of ChooseLD Software

 

 

 

 

Docking Image  on this article
Docking Results JSON files on this article
molrego numbers and molecule names list
ChooseLD Program source
ChEMBL31 Bioactivity Parameters and counts

English translated document of "Journal of the Institute of Science and Engineering. Chuo University Vol. 25 2019"
In silico screening based on the protein-ligand interaction of experimental data