Description

CSC participates in the consortium Molecular recognition:automated reconstruction and analyses of large molecular complexes, which is part of the SYSBIO program run by the Academy of Finland. The consortium is coordinated by Prof. Mark Johnson from Åbo Akademi University, other consortium members are Prof. Holland Cheng from Karolinska Institutet and Doc. Tiina Salminen from Åbo Akademi University.

The objective of the CSC's subproject is to model interactions of small molecules within protein binding sites using SOMA drug discovery software environment. The proteins of interest are steroid hormone receptors, androgen and progesterone receptors in particular. The goal is to identify with computational means the key molecular interactions needed for selective binding of small molecules to these important proteins. Design of new molecules that bind to and modulate the functions of steroid hormone receptors in a selective manner is essential in modern drug discovery.

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