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Oncotarget|November 29, 2016
New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylateJihong Cui, Maija Hollmén, Lina Li, et al.
Journal of Medicinal Chemistry|March 28, 2012
Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1)Florian Rörsch, Estella Buscató, Klaus Deckmann, et al.
Molecular Informatics|November 22, 2016
Sparse Neural Network Models of Antimicrobial Peptide-Activity RelationshipsAlex T Müller, Aral C Kaymaz, Gisela Gabernet, et al.
Journal of Computer-Aided Molecular Design|December 8, 2007
The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNAAndreas Schüller, Marcel Suhartono, Uli Fechner, et al.
Journal of Medicinal Chemistry|December 23, 2009
Nonacidic inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1) identified by a multistep virtual screening protocolFlorian Rörsch, Ivonne Wobst, Heiko Zettl, et al.
Angewandte Chemie (International Ed. in English)|October 22, 2015
De Novo Fragment Design for Drug Discovery and Chemical BiologyTiago Rodrigues, Daniel Reker, Martin Welin, et al.
Chimia|March 6, 2014
Adaptive peptide designGisbert Schneider, Yen-Chu Lin, Christian P Koch, et al.
Journal of Chemical Information and Modeling|November 15, 2011
A collection of robust organic synthesis reactions for in silico molecule designMarkus Hartenfeller, Martin Eberle, Peter Meier, et al.
Plos Computational Biology|February 24, 2012
DOGS: reaction-driven de novo design of bioactive compoundsMarkus Hartenfeller, Heiko Zettl, Miriam Walter, et al.
Molecular Informatics|January 23, 2025
Simple User-Friendly Reaction FormatDavid F Nippa, Alex T Müller, Kenneth Atz, et al.
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