Molecular bank and inventory system

Head of Core Facility
Ruth DEME / Anna VINCZE / Balázs BALOGH

Core Facility Address
Hőgyes Endre str. 7 Budapest Hungary H-1092 

Hőgyes Endre str. 9 Budapest Hungary H-1092

Contact E-mail
Ruth DEME
deme.ruth@semmelweis.hu

Anna VINCZE
anna.vincze@semmelweis.hu

Balázs BALOGH balogh.balazs@semmelweis.hu

Staff
6

Quality Control
ISO9001

What we offer

  • Online and ready-to-use drug discovery platform and database: Reliable information on samples available at our various institutions with quality information
  • Sample storage, identification, and traffic is handled under a unified system with quality certification
  • Prediction of physchem molecular and early ADMET properties (bio- and cheminformatics), Lead selection and optimization

Why work with us

Our database provides a sound means for the rapid identification and retrievability of chemical samples (natural or synthesized) with data on preparation and purity/integrity. We can provide quick retrievability of documentation on sample’s preparation and purity.
This database is compatible with our in silico predicting platforms for rapid selection. As an added option we offer the rapid and valuable lead identification and characterization of drug candidate molecules via state-of-the-art computational and in silico prediction.

Our equipment

  • Mcule
  • ACD/Labs ChemFolder 2014
  • Schrödinger computational platform: Desmond, Jaguar, Maestro, Prime, PrimeX, PyMOL
  • ACD/Percepta, ADME Suite, Tox Suite
  • AutoDock

References

Our molecular bank was created based on the operational concept of Gedeon Richter Plc. Pharmaceutical company in the early 2000’s
We have established a partnership with Mcule, a leading provider of virtual screening, compound sourcing, and medicinal chemistry services.