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Chemmedchem|June 9, 2026
Integrating 19Focused Screening with Make-On-Demand Chemical Spaces for Enhanced Fragment Follow-UpPatrick Penner, Christelle Henry, Martin Schröder, et al.
Journal of Computer-Aided Molecular Design|December 11, 2023
QM assisted ML for 19F NMR chemical shift predictionPatrick Penner, Anna Vulpetti
Farmaco (Societa Chimica Italiana : 1989)|October 12, 2004
Sequence and structural analysis of kinase ATP pocket residuesAnna Vulpetti, Roberta Bosotti
Journal of Medicinal Chemistry|October 9, 2018
Ligand-Based Fluorine NMR Screening: Principles and Applications in Drug Discovery ProjectsClaudio Dalvit, Anna Vulpetti
Drug Discovery Today|April 7, 2012
Fluorine local environment: from screening to drug designAnna Vulpetti, Claudio Dalvit
Journal of Chemical Information and Modeling|June 3, 2010
Tautomer preference in PDB complexes and its impact on structure-based drug discoveryFrancesca Milletti, Anna Vulpetti
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