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Journal of Proteome Research|June 5, 2007
Protein-protein interfaces: properties, preferences, and projectionsJeffrey J Headd, Y E Andrew Ban, Paul Brown, et al.Journal of Molecular Graphics & Modelling|September 15, 2004
Modeling of p38 mitogen-activated protein kinase inhibitors using the Catalyst HypoGen and k-nearest neighbor QSAR methodsZhiyan Xiao, Shikha Varma, Yun-De Xiao, et al.Molecular Informatics|October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical librariesKonstantin I Popov, James Wellnitz, Travis Maxfield, et al.Pharmaceutical Research|May 27, 2020
Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19Nancy Baker, Antony J Williams, Alexander Tropsha, et al.Journal of Medicinal Chemistry|April 28, 2012
Chemocentric informatics approach to drug discovery: identification and experimental validation of selective estrogen receptor modulators as ligands of 5-hydroxytryptamine-6 receptors and as potential cognition enhancersRima Hajjo, Vincent Setola, Bryan L Roth, et al.Journal of Chemical Information and Modeling|May 13, 2008
Combinatorial QSAR modeling of specificity and subtype selectivity of ligands binding to serotonin receptors 5HT1E and 5HT1FXiang S Wang, Hao Tang, Alexander Golbraikh, et al.Methods in Molecular Biology (Clifton, N.J.)|September 15, 2010
Computational systems chemical biologyTudor I Oprea, Elebeoba E May, Andrei Leitão, et al.Vaccines|October 26, 2021
Shedding the Light on Post-Vaccine Myocarditis and Pericarditis in COVID-19 and Non-COVID-19 Vaccine RecipientsRima Hajjo, Dima A Sabbah, Sanaa K Bardaweel, et al.Diagnostics (Basel, Switzerland)|April 30, 2021
Identification of Tumor-Specific MRI Biomarkers Using Machine Learning (ML)Rima Hajjo, Dima A Sabbah, Sanaa K Bardaweel, et al.Arxiv|August 7, 2023
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular DockingMichael Brocidiacono, Konstantin I Popov, David Ryan Koes, et al.Pageof 26