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Journal of Computer-Aided Molecular Design|February 22, 2017
Quantum probability ranking principle for ligand-based virtual screeningMohammed Mumtaz Al-Dabbagh, Naomie Salim, Mubarak Himmat, et al.Journal of Computer-Aided Molecular Design|March 15, 2017
ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugsAnn E Cleves, Ajay N JainJournal of Computer-Aided Molecular Design|January 8, 2017
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock VinaElena Di Muzio, Daniele Toti, Fabio PolticelliJournal of Computer-Aided Molecular Design|October 8, 2016
Improved pose and affinity predictions using different protocols tailored on the basis of data availabilityPhilip Prathipati, Chioko Nagao, Shandar Ahmad, et al.Journal of Computer-Aided Molecular Design|October 8, 2016
Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA studyJiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan, et al.Journal of Computer-Aided Molecular Design|December 21, 2016
The need for scientific software engineering in the pharmaceutical industryBrock Luty, Peter W RoseJournal of Computer-Aided Molecular Design|November 24, 2016
The evolution of drug design at Merck Research LaboratoriesFrank K Brown, Edward C Sherer, Scott A Johnson, et al.Journal of Computer-Aided Molecular Design|November 11, 2016
Empowering pharmacoinformatics by linked life science dataDaria Goldmann, Barbara Zdrazil, Daniela Digles, et al.Journal of Computer-Aided Molecular Design|February 4, 2017
Predicting DPP-IV inhibitors with machine learning approachesJie Cai, Chanjuan Li, Zhihong Liu, et al.Journal of Computer-Aided Molecular Design|February 13, 2017
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydratesMeagan C Small, Asaminew H Aytenfisu, Fang-Yu Lin, et al.Pageof 265