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ZIBgridfree

ZIBgridfree - Conformation Analysis

Description

The biochemical function of a drug-like molecule depends strongly on its 3-dimensional (steric) structure. In order to be able to analyze or predict biochemical function the steric structure of the molecule has to be known. The goal of the conformation analysis project ZIBgridfree is the in-silico prediction of the molecule's metastable conformations at a given temperature.

Further information is available in the detailed project description.

Members

Marcus Weber

Susanna Röblitz

Alexander Bujotzek

Konstantin Fackeldey

Responsible

Peter Deuflhard

Marcus Weber

Funding

Zuse-Institute Berlin (ZIB)

Former Members

Holger Meyer

Alexander Riemer

Duration

2003 -