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Computational Systems Bioinformatics. Computational Systems Bioinformatics Conference|March 21, 2007
Distance-based identification of structure motifs in proteins using constrained frequent subgraph miningJun Huan, Deepak Bandyopadhyay, Jan Prins, et al.Journal of Medicinal Chemistry|June 14, 2002
Quantitative structure-activity relationship analysis of functionalized amino acid anticonvulsant agents using k nearest neighbor and simulated annealing PLS methodsMin Shen, Arnaud LeTiran, Yunde Xiao, et al.Journal of Biomolecular Structure & Dynamics|December 17, 2019
An atypical heterotrimeric Gα protein has substantially reduced nucleotide binding but retains nucleotide-independent interactions with its cognate RGS protein and Gβγ dimerFei Lou, Tigran M Abramyan, Haiyan Jia, et al.Journal of Computational Biology : a Journal of Computational Molecular Cell Biology|August 20, 2005
Comparing graph representations of protein structure for mining family-specific residue-based packing motifsJun Huan, Deepak Bandyopadhyay, Wei Wang, et al.Journal of Pharmaceutical Sciences|May 9, 2013
An updated review on drug-induced cholestasis: mechanisms and investigation of physicochemical properties and pharmacokinetic parametersKyunghee Yang, Kathleen Köck, Alexander Sedykh, et al.Journal of Controlled Release : Official Journal of the Controlled Release Society|December 14, 2011
Quantitative structure-property relationship modeling of remote liposome loading of drugsAhuva Cern, Alexander Golbraikh, Aleck Sedykh, et al.Journal of Computer-Aided Molecular Design|June 23, 2009
Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: I. Method developmentDeepak Bandyopadhyay, Jun Huan, Jan Prins, et al.Journal of Computer-Aided Molecular Design|June 24, 2009
Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: II. Case studies and applicationsDeepak Bandyopadhyay, Jun Huan, Jan Prins, et al.Journal of Computer-Aided Molecular Design|September 16, 2005
Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database miningJose Luis Medina-Franco, Alexander Golbraikh, Scott Oloff, et al.Journal of Computer-Aided Molecular Design|March 14, 2008
Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screeningJui-Hua Hsieh, Xiang S Wang, Denise Teotico, et al.Pageof 26