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A Novel Approach to Reduce High-Dimensional Search Spaces for the Molecular Docking Problem

Dimitri Kuhn, Robert Günther, Karsten Weicker
In: Jörn Mehnen, Mario Köppen, Ashraf saad, Ashutosh Tiwari (eds.), Applications of Soft Computing, pp. 139-148, Berlin, Springer, 2009.

 

Abstract

Molecular simulation docking has become an important contribution to pharmaceutical research. However, in the case of fast screening of many substances (ligands) for their potential impact on a pathogenic protein, computation time is a serious issue. This paper presents a technique to reduce the search space by keeping the ligands close to the surface of the protein. 

 

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Termine
Fakultätsratssitzung 26.07.2017 15:00 - 17:30 — Z 417
Exkursion zum CERN 14.08.2017 - 17.08.2017
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Bachelorverteidigung Stefanie Schlinke Raum: Z 417
Beginn: 25.07.17 - 13:30
Masterverteidigung Marina Yagovkina Raum: Z 417
Beginn: 26.07.17 - 12:00
Bachelorverteidigung Vadzim Naumchyk Raum: Z 417
Beginn: 27.07.17 - 10:00