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Molecules (Basel, Switzerland)|August 29, 2019
SAR by Space: Enriching Hit Sets from the Chemical SpaceFranca-Maria Klingler, Marcus Gastreich, Oleksandr O Grygorenko, et al.Journal of Computer-Aided Molecular Design|December 29, 2011
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring functionNadine Schneider, Sally Hindle, Gudrun Lange, et al.Journal of Medicinal Chemistry|September 7, 2022
Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical SpacesJanis Müller, Raphael Klein, Olga Tarkhanova, et al.Bioorganic & Medicinal Chemistry Letters|November 22, 2017
New Caspase-1 inhibitor by scaffold hopping into bio-inspired 3D-fragment spaceAnne Brethon, Laurent Chantalat, Olivier Christin, et al.European Journal of Medicinal Chemistry|July 3, 2019
Carboxamides vs. methanimines: Crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl)methanimines as monoamine oxidase B and acetylcholinesterase inhibitorsNikolay T Tzvetkov, Hans-Georg Stammler, Maya G Georgieva, et al.European Journal of Medicinal Chemistry|April 24, 2023
Neurotensin(8-13) analogs as dual NTS1 and NTS2 receptor ligands with enhanced effects on a mouse model of Parkinson's diseaseToni Kühl, Maya G Georgieva, Harald Hübner, et al.Pageof 2