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Journal of Chemical Information and Modeling|October 21, 2014
Influence of search parameters and criteria on compound selection, promiscuity, and pan assay interference characteristicsYe Hu, Jürgen BajorathJournal of Chemical Information and Modeling|November 11, 2014
iLOGP: a simple, robust, and efficient description of n-octanol/water partition coefficient for drug design using the GB/SA approachAntoine Daina, Olivier Michielin, Vincent ZoeteJournal of Chemical Information and Modeling|November 14, 2014
Assessment of a Cambridge Structural Database-driven overlay programIlenia Giangreco, Tjelvar S G Olsson, Jason C Cole, et al.Journal of Chemical Information and Modeling|November 25, 2014
Structural insight into the unique binding properties of pyridylethanol(phenylethyl)amine inhibitor in human CYP51Urška Zelenko, Milan Hodošček, Damjana Rozman, et al.Journal of Chemical Information and Modeling|November 21, 2014
CLCA: maximum common molecular substructure queries within the MetRxn databaseAkhil Kumar, Costas D MaranasJournal of Chemical Information and Modeling|October 21, 2015
Investigating Pharmacological Similarity by Charting Chemical SpaceRosa Buonfiglio, Ola Engkvist, Péter Várkonyi, et al.Journal of Chemical Information and Modeling|October 28, 2015
Density Functional Theory and Electrochemical Studies: Structure-Efficiency Relationship on Corrosion InhibitionRosa L Camacho-Mendoza, Evelin Gutiérrez-Moreno, Edmundo Guzmán-Percástegui, et al.Journal of Chemical Information and Modeling|October 27, 2015
Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and MicrotubulesRan Cao, Yanli Wang, Niu HuangJournal of Chemical Information and Modeling|November 7, 2015
Homology Model-Based Virtual Screening for the Identification of Human Helicase DDX3 InhibitorsRoberta Fazi, Cristina Tintori, Annalaura Brai, et al.Journal of Chemical Information and Modeling|November 4, 2015
Potent Human Telomerase Inhibitors: Molecular Dynamic Simulations, Multiple Pharmacophore-Based Virtual Screening, and Biochemical AssaysFaezeh Shirgahi Talari, Kowsar Bagherzadeh, Sahand Golestanian, et al.Pageof 909