The 1.9 Å Crystal Structure of Alanine Racemase from Mycobacterium tuberculosis Contains a Conserved Entryway into the Active Site, P LeMagueres, H Im, J Ebalunode, U Strych, MJ Benedik, JM Briggs, ... Biochemistry 44 (5), 1471-1481, 2005 | 116 | 2005 |
Bio-inspired resin acid-derived materials as anti-bacterial resistance agents with unexpected activities Y PináChen Chemical Science 5 (5), 2011-2016, 2014 | 71 | 2014 |
Novel approach to structure-based pharmacophore search using computational geometry and shape matching techniques JO Ebalunode, Z Ouyang, J Liang, W Zheng Journal of chemical information and modeling 48 (4), 889-901, 2008 | 62 | 2008 |
Cancer classification based on microarray gene expression data using deep learning P Guillen, J Ebalunode 2016 International Conference on Computational Science and Computational …, 2016 | 35 | 2016 |
Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design JO Ebalunode, W Zheng, A Tropsha Chemical Library Design, 111-133, 2011 | 35 | 2011 |
Molecular shape technologies in drug discovery: methods and applications J O Ebalunode, W Zheng Current topics in medicinal chemistry 10 (6), 669-679, 2010 | 34 | 2010 |
Electrostatic steering at acetylcholine binding sites RH Meltzer, E Thompson, KV Soman, XZ Song, JO Ebalunode, ... Biophysical journal 91 (4), 1302-1314, 2006 | 26 | 2006 |
Hybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes N Nunthaboot, S Pianwanit, V Parasuk, JO Ebalunode, JM Briggs, ... Biophysical journal 93 (10), 3613-3626, 2007 | 20 | 2007 |
Insights into the substrate binding specificity of quorum-quenching acylase PvdQ Y Liu, JO Ebalunode, JM Briggs Journal of Molecular Graphics and Modelling 88, 104-120, 2019 | 19 | 2019 |
Unconventional 2D shape similarity method affords comparable enrichment as a 3D shape method in virtual screening experiments JO Ebalunode, W Zheng Journal of chemical information and modeling 49 (6), 1313-1320, 2009 | 18 | 2009 |
Structure-based shape pharmacophore modeling for the discovery of novel anesthetic compounds JO Ebalunode, X Dong, Z Ouyang, J Liang, RG Eckenhoff, W Zheng Bioorganic & medicinal chemistry 17 (14), 5133-5138, 2009 | 16 | 2009 |
Receptor-based pharmacophore and pharmacophore key descriptors for virtual screening and QSAR modeling X Dong, J O Ebalunode, SY Yang, W Zheng Current computer-aided drug design 7 (3), 181-189, 2011 | 13 | 2011 |
A novel structure-based multimode QSAR method affords predictive models for phosphodiesterase inhibitors X Dong, JO Ebalunode, SJ Cho, W Zheng Journal of chemical information and modeling 50 (2), 240-250, 2010 | 13 | 2010 |
Screening of focused compound library targeting liver X receptors in pancreatic cancer identified ligands with inverse agonist and degrader activity H Karaboga, W Huang, S Srivastava, S Widmann, S Addanki, KT Gamage, ... ACS Chemical Biology 15 (11), 2916-2928, 2020 | 12 | 2020 |
Computational insights into the interaction of the anthrax lethal factor with the N‐terminal region of its substrates M Joshi, JO Ebalunode, JM Briggs Proteins: Structure, Function, and Bioinformatics 75 (2), 323-335, 2009 | 10 | 2009 |
Development of improved models for phosphodiesterase-4 inhibitors with a multi-conformational structure-based QSAR method A Adekoya, X Dong, J Ebalunode, W Zheng Current Chemical Genomics 3, 54, 2009 | 8 | 2009 |
Computed pore potentials of the nicotinic acetylcholine receptor RH Meltzer, W Vila-Carriles, JO Ebalunode, JM Briggs, SE Pedersen Biophysical journal 91 (4), 1325-1335, 2006 | 8 | 2006 |
Informatics approach to the rational design of siRNA libraries JO Ebalunode, C Jagun, W Zheng Chemoinformatics and Computational Chemical Biology, 341-358, 2011 | 7 | 2011 |
Cheminformatics Approach to Gene Silencing: Z Descriptors of Nucleotides and SVM Regression Afford Predictive Models for siRNA Potency JO Ebalunode, W Zheng Molecular Informatics 29 (12), 871-881, 2010 | 6 | 2010 |
Breast cancer classification: a deep learning approach for digital pathology P Guillén-Rondon, M Robinson, J Ebalunode High Performance Computing: 5th Latin American Conference, CARLA 2018 …, 2019 | 5 | 2019 |