Magnet for the Needle in Haystack: “Crystal Structure First” Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces-Reference-Cited by-同舟云学术

Magnet for the Needle in Haystack: “Crystal Structure First” Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces

Published:2022-09-07 Issue:23 Volume:65 Page:15663-15678
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Müller Janis¹,Klein Raphael²^ORCID,Tarkhanova Olga³,Gryniukova Anastasiia⁴,Borysko Petro⁴,Merkl Stefan¹,Ruf Moritz¹,Neumann Alexander²,Gastreich Marcus²^ORCID,Moroz Yurii S.³⁵,Klebe Gerhard⁶^ORCID,Glinca Serghei¹^ORCID

Affiliation:

1. CrystalsFirst GmbH, Marbacher Weg 6, 35037Marburg, Germany

2. BioSolveIT GmbH, An der Ziegelei 79, 53757Sankt Augustin, Germany

3. Chemspace LLC, 85 Chervonotkatska Street, Suite 1, 03190Kyïv, Ukraine

4. Enamine Ltd., 78 Chervonotkatska Street 78, 02094Kyïv, Ukraine

5. Taras Shevchenko National University of Kyïv, 60 Volodymyrska Street 60, Kyïv01601, Ukraine

6. Department for Pharmaceutical Chemistry, Philipps-University Marburg, Marbacher Weg 6, 35037Marburg, Germany

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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