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Journal of Computer-Aided Molecular Design|July 6, 2016
A pose prediction approach based on ligand 3D shape similarityAshutosh Kumar, Kam Y J ZhangJournal of Computer-Aided Molecular Design|February 20, 2016
Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioningLucas N Alberca, María L Sbaraglini, Darío Balcazar, et al.Journal of Computer-Aided Molecular Design|June 1, 1989
Determination of clefts in receptor structuresR A LewisJournal of Computer-Aided Molecular Design|December 4, 2014
Design and characterization of chemical space networks for different compound data setsMagdalena Zwierzyna, Martin Vogt, Gerald M Maggiora, et al.Journal of Computer-Aided Molecular Design|December 21, 2014
In silico identification of novel ligands for G-quadruplex in the c-MYC promoterHyun-Jin Kang, Hyun-Ju ParkJournal of Computer-Aided Molecular Design|August 30, 2014
Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling methodVeronica M W Gee, Fiona S L Wong, Lalitha Ramachandran, et al.Journal of Computer-Aided Molecular Design|January 4, 2015
Insights into the preferential order of strand exchange in the Cre/loxP recombinase system: impact of the DNA spacer flanking sequence and flexibilityJosephine Abi-Ghanem, Sergey A Samsonov, M Teresa PisabarroJournal of Computer-Aided Molecular Design|November 14, 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compoundsPavel Sidorov, Helena Gaspar, Gilles Marcou, et al.Journal of Computer-Aided Molecular Design|November 14, 2015
Insights into resistance mechanism of the macrolide biosensor protein MphR(A) binding to macrolide antibiotic erythromycin by molecular dynamics simulationTingting Feng, Yanjun Zhang, Jing-Na Ding, et al.Journal of Computer-Aided Molecular Design|October 19, 2015
Statistical analysis of EGFR structures' performance in virtual screeningYan Li, Xiang Li, Zigang DongPageof 265