Surface Scanning and Fragment-Based Virtual Screening Platform for Protein–Ligand Interaction Prediction

PROSURFSCAN

Duration

3 years

Website

https://chemotargets.com/

Partners

1 partner

Budget

€60K

Description

Support for the hiring of research personnel. Specifically, the new personnel would be dedicated to working on ProSurfScan is a powerful computational tool designed to predict chemical fragments that are compatible with binding to a given protein structure. Based on the premise that similar protein surface environments bind similar chemical fragments, ProSurfScan scans protein surfaces for analogues of known ligand-bound environments stored in an extensive database built from the Protein Data Bank

MATICAL’s role

Proposal writing

Programme / Type

Torres Quevedo

Area

Computational drug discovery, structural biology, fragment screening, AI in biomedicine

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Description

MATICAL’s role

Proposal writing

Programme / Type

Torres Quevedo

Area

Computational drug discovery, structural biology, fragment screening, AI in biomedicine

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