Research

ProBiS-Fold approach for binding site detection for whole structural human proteome in drug discovery

Code:

J1-4414

Range:

01. October 2022 - 30. September 2025

Range:

0,03 FTE

Leader:

Stanislav Gobec

Field:

1.07. Natural sciences and mathematics / Computer intensive methods and applications

Abstract:

The ProBiS-Fold approach, on which the ProBiS-Fold web server is based, will enable for the first-time interactions between most human protein structures not limited to the Protein Data Base structures only, prediction of selectivity and ligand binding, and observation of conserved water effects and ligand binding sequence variants. This work will provide the scientific community with a freely available, versatile server that researchers and clinicians can easily use from the web to detect molecules that bind to the proteins under their study. Our ProBiS tools will allow to combine several otherwise unrelated research areas, such as graph theoretical approaches, genetic variation studies,protein structure studies and molecular dynamics simulations.