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Methods in Molecular Biology (Clifton, N.J.)|September 15, 2010
Computational systems chemical biologyTudor I Oprea, Elebeoba E May, Andrei Leitão, et al.Journal of Molecular Graphics & Modelling|July 14, 2001
Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular dockingC Pilger, C Bartolucci, D Lamba, 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.Nature Reviews. Drug Discovery|December 8, 2023
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSARAlexander Tropsha, Olexandr Isayev, Alexandre Varnek, et al.Bioinformatics (Oxford, England)|December 31, 2013
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening dataDenis Fourches, Maria F Sassano, Bryan L Roth, et al.Drug Discovery Today|January 14, 2018
A bibliometric review of drug repurposingNancy C Baker, Sean Ekins, Antony J Williams, et al.Journal of Chemical Information and Modeling|September 26, 2006
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR modelsShuxing Zhang, Alexander Golbraikh, Scott Oloff, et al.Proteins|January 26, 2012
Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?Hao Tang, Xiang Simon Wang, Jui-Hua Hsieh, et al.Pageof 33,890