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Welcome to the Gohlke group

Computational Pharmaceutical Chemistry and Molecular Bioinformatics


 NN for local and golbal model quality assesment


Artistic representation of an artificial deep neural network used to evaluate the global and local model quality of an ensemble of predicted protein structure models.

See here for details.

04/18: Grants for computing time on JUWELS, Juelich Supercomputing Center, for molecular simulations on an ion channel, a phospholipase, and a sweet taste receptor approved.


Member of / funded by:

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Holger Gohlke also heads the John von Neumann Institute (NIC) Research Group "Computational Biophysical Chemistry" at Forschungszentrum Jülich. NIC.png


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