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Journal of Computer-Aided Molecular Design|November 12, 2010
Pharmacophore-driven identification of PPARγ agonists from natural sourcesRasmus K Petersen, Kathrine B Christensen, Andreana N Assimopoulou, et al.Journal of Computer-Aided Molecular Design|November 18, 2010
Computer-assisted combinatorial design of bicyclic thymidine analogs as inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinaseVladimir Frecer, Pierfausto Seneci, Stanislav MiertusJournal of Computer-Aided Molecular Design|December 1, 2010
Molecular and structural determinants of adamantyl susceptibility to HLA-DRs allelic variants: an in silico approach to understand the mechanism of MLEsZaheer-ul-Haq, Waqasuddin KhanJournal of Computer-Aided Molecular Design|November 6, 2010
Computer-aided drug design platform using PyMOLMarkus A Lill, Matthew L DanielsonJournal of Computer-Aided Molecular Design|November 6, 2010
Biased retrieval of chemical series in receptor-based virtual screeningNatasja Brooijmans, Jason B Cross, Christine HumbletJournal of Computer-Aided Molecular Design|February 12, 2013
Structural insights into the mechanism of translational inhibition by the fungicide sordarinBiprashekhar Chakraborty, Raisa Mukherjee, Jayati SenguptaJournal of Computer-Aided Molecular Design|February 13, 2013
2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3,4b][1,4]-oxazines as inhibitors of the multidrug transporter P-glycoproteinIshrat Jabeen, Penpun Wetwitayaklung, Peter Chiba, et al.Journal of Computer-Aided Molecular Design|March 5, 2013
A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1Kongkai Zhu, Junyan Lu, Zhongjie Liang, et al.Journal of Computer-Aided Molecular Design|April 16, 2013
An informatic pipeline for managing high-throughput screening experiments and analyzing data from stereochemically diverse librariesCarol A Mulrooney, David L Lahr, Michael J Quintin, et al.Journal of Computer-Aided Molecular Design|April 16, 2013
Managing missing measurements in small-molecule screensMichael R Browning, Bradley T Calhoun, S Joshua SwamidassPageof 264