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Journal of Computer-Aided Molecular Design|September 15, 2006
Do benzodiazepines mimic reverse-turn structures?Masayuki Hata, Garland R MarshallJournal of Computer-Aided Molecular Design|October 21, 2006
Balancing focused combinatorial libraries based on multiple GPCR ligandsFarhad Soltanshahi, Tamsin E Mansley, Sun Choi, et al.Journal of Computer-Aided Molecular Design|May 8, 2009
Development and NMR validation of minimal pharmacophore hypotheses for the generation of fragment libraries enriched in heparanase inhibitorsRafael Gozalbes, Silvia Mosulén, Rodrigo J Carbajo, et al.Journal of Computer-Aided Molecular Design|June 5, 2009
Lessons for fragment library design: analysis of output from multiple screening campaignsI-Jen Chen, Roderick E HubbardJournal of Computer-Aided Molecular Design|May 28, 2009
Robust optimization of scoring functions for a target classMarkus H J SeifertJournal of Computer-Aided Molecular Design|June 18, 2009
Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding siteKsenia Oguievetskaia, Laetitia Martin-Chanas, Artem Vorotyntsev, et al.Journal of Computer-Aided Molecular Design|June 19, 2009
Analysis and use of fragment-occurrence data in similarity-based virtual screeningShereena M Arif, John D Holliday, Peter WillettJournal of Computer-Aided Molecular Design|June 30, 2009
Second-generation de novo design: a view from a medicinal chemist perspectiveAndrea Zaliani, Krisztina Boda, Thomas Seidel, et al.Journal of Computer-Aided Molecular Design|June 1, 1991
Molecular dynamics simulation of the renin inhibitor H142 in waterO Teleman, M Lindberg, S EngströmJournal of Computer-Aided Molecular Design|June 1, 1991
The computational design of test compounds with potentially specific biological activity: histamine-H2 agonists derived from 5-HT/H2 antagonistsS Topiol, M SabioPageof 264