Discovery of Novel MDR-Mycobacterium tuberculosis Inhibitor by New FRIGATE Computational Screen

• Christoph Scheich ,

  Contributed equally to this work with: Christoph Scheich, Zoltán Szabadka

  Current address: Evotec AG, Hamburg, Germany

  Affiliation Combinature Biopharm AG, Berlin, Germany

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• Zoltán Szabadka ,

  Contributed equally to this work with: Christoph Scheich, Zoltán Szabadka

  Affiliations Department of Computer Science, Eötvös University, Budapest, Hungary, Uratim Ltd., Budapest, Hungary

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• Beáta Vértessy,

  Affiliations Institute of Enzymology, Hungarian Academy of Science, Budapest, Hungary, Department of Applied Biotechnology, University of Technology and Economics, Budapest, Hungary

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• Vera Pütter,

  Current address: Bayer Schering Pharma AG, Berlin, Germany

  Affiliation Combinature Biopharm AG, Berlin, Germany

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• Vince Grolmusz ,

  * E-mail: grolmusz@cs.elte.hu (VG); markus.schade@astrazeneca.com (MS)

  Affiliations Department of Computer Science, Eötvös University, Budapest, Hungary, Uratim Ltd., Budapest, Hungary

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• Markus Schade

  * E-mail: grolmusz@cs.elte.hu (VG); markus.schade@astrazeneca.com (MS)

  Current address: AstraZeneca Ltd, DS Biophysics, Macclesfield, United Kingdom

  Affiliation Combinature Biopharm AG, Berlin, Germany

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