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Journal of Computer-Aided Molecular Design|May 28, 2011
Visualisation and subsets of the chemical universe database GDB-13 for virtual screeningLorenz C Blum, Ruud van Deursen, Jean-Louis ReymondJournal of Computer-Aided Molecular Design|June 22, 2011
Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energiesCarlos Gueto-Tettay, Juan Carlos Drosos, Ricardo Vivas-ReyesJournal of Computer-Aided Molecular Design|December 1, 1989
Computer modelling: future directionsA M StonehamJournal of Computer-Aided Molecular Design|January 11, 2015
Role of indirect readout mechanism in TATA box binding protein-DNA interactionManas Mondal, Devapriya Choudhury, Jaydeb Chakrabarti, et al.Journal of Computer-Aided Molecular Design|December 17, 2014
Assessment of the tautomeric population of benzimidazole derivatives in solution: a simple and versatile theoretical-experimental approachCarlos Diaz, Ligia Llovera, Lorenzo Echevarria, et al.Journal of Computer-Aided Molecular Design|January 15, 2015
Structural dynamics of native and V260E mutant C-terminal domain of HIV-1 integraseBalasubramanian Sangeetha, Rajagopalan Muthukumaran, Ramaswamy AmuthaJournal of Computer-Aided Molecular Design|December 19, 2015
Modeling error in experimental assays using the bootstrap principle: understanding discrepancies between assays using different dispensing technologiesSonya M Hanson, Sean Ekins, John D ChoderaJournal of Computer-Aided Molecular Design|January 2, 2016
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_SignGregory Sliwoski, Jeffrey Mendenhall, Jens MeilerJournal of Computer-Aided Molecular Design|February 3, 2016
Geometry optimization method versus predictive ability in QSPR modeling for ionic liquidsAnna Rybinska, Anita Sosnowska, Maciej Barycki, et al.Journal of Computer-Aided Molecular Design|September 18, 2015
Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental dataStefan G Krimmer, Gerhard KlebePageof 265