pschmidtke

Details

Position
Former group member
First Name
Peter
Last Name
Schmidtke
Title
8 : Not applicable
Project

I am working on two different main topics during my PhD  here in Barcelona.

The first part of my project deals with druggability prediction methods development and application. Using a very fast structure based pocket detection method a druggability predicting scoring function was trained on known druggable and non druggable targets. This function was implemented in the cavity detection algorithm. This program was then applied to the PDB to systematically screen for cavities amenable to bind drug like molecules. The whole information is organized in a relational database interfaced by a very neat Qt based GUI.

Currently I am analysing results coming from this high throughput study.

In parallel I started the second part of my PhD project focussing more on methods development in deNovo drug design and docking.

History

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10 years 11 weeks
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