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Journal of Computer-Aided Molecular Design|March 1, 1989
Pattern recognition display methods for the analysis of computed molecular propertiesB Hudson, D J Livingstone, E RahrJournal of Computer-Aided Molecular Design|January 1, 1989
Crystallographic studies and semi-empirical MNDO calculations on quisqualic acid and its analogues: systems containing unusual pyramidal heterocyclic ring nitrogensD E Jackson, B W Bycroft, T J KingJournal of Computer-Aided Molecular Design|June 24, 2016
Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A2A receptorAndrew Anighoro, Jürgen BajorathJournal of Computer-Aided Molecular Design|June 18, 2016
Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approachesPatcharapong Thangsunan, Sila Kittiwachana, Puttinan Meepowpan, et al.Journal of Computer-Aided Molecular Design|August 16, 2015
A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulationDavid Adrian Saez, Esteban Vöhringer-MartinezJournal of Computer-Aided Molecular Design|August 21, 2015
Tales from the war on error: the art and science of curating QSAR dataMarvin Waldman, Robert Fraczkiewicz, Robert D ClarkJournal of Computer-Aided Molecular Design|March 10, 2016
Structural insights of a PI3K/mTOR dual inhibitor with the morpholino-triazine scaffoldTakako Takeda, Yanli Wang, Stephen H BryantJournal of Computer-Aided Molecular Design|March 7, 2016
Lessons learned from the design of chemical space networks and opportunities for new applicationsMartin Vogt, Dagmar Stumpfe, Gerald M Maggiora, et al.Journal of Computer-Aided Molecular Design|February 25, 2016
Pep-Calc.com: a set of web utilities for the calculation of peptide and peptoid properties and automatic mass spectral peak assignmentSam Lear, Steven L CobbJournal of Computer-Aided Molecular Design|November 20, 2012
Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analysesLéo Degrève, Carlos A Fuzo, Antonio CaliriPageof 263