Contact Details:

Thomas Evangelidis

Research Specialist
CEITEC - Central European Institute of Technology
Masaryk University
Kamenice 5/A35/2S049, 62500 Brno
Czech Republic

email: tevang@pharm.uoa.gr




  • ConsScorTK (Proprietary code. Creation and calibration of machine learning-based scoring functions for drug design, statistical evaluation, reporting and visualization. It consists of 3 major components: 1) automated ligand binding pose and affinity prediction for ligand scaffold optimization (ScaffOpt algorithm); 2) virtual screening of large chemical databases; 3) consensus scoring of protein-ligand docking results.)
  • 4D-CHAINS (fully automated protein NMR assignments from two 4D spectra)

... and when simulations are not convincing ...