Calcium-activated nonspecific cation current and synaptic depression promote network-dependent burst oscillations JE Rubin, JA Hayes, JL Mendenhall, CA Del Negro Proceedings of the National Academy of Sciences 106 (8), 2939-2944, 2009 | 204 | 2009 |
BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library S Kothiwale, JL Mendenhall, J Meiler Journal of cheminformatics 7, 1-15, 2015 | 133 | 2015 |
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database M Butkiewicz, EW Lowe Jr, R Mueller, JL Mendenhall, PL Teixeira, ... Molecules 18 (1), 735-756, 2013 | 98 | 2013 |
Improving quantitative structure–activity relationship models using Artificial Neural Networks trained with dropout J Mendenhall, J Meiler Journal of computer-aided molecular design 30 (2), 177-189, 2016 | 64 | 2016 |
Documentation of an imperative to improve methods for predicting membrane protein stability BM Kroncke, AM Duran, JL Mendenhall, J Meiler, JD Blume, CR Sanders Biochemistry 55 (36), 5002-5009, 2016 | 59 | 2016 |
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign G Sliwoski, J Mendenhall, J Meiler Journal of computer-aided molecular design 30, 209-217, 2016 | 49 | 2016 |
Identification of specific ligand–receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site KJ Gregory, ED Nguyen, C Malosh, JL Mendenhall, JZ Zic, BS Bates, ... ACS chemical neuroscience 5 (4), 282-295, 2014 | 49 | 2014 |
Predicting the functional impact of KCNQ1 variants of unknown significance B Li, JL Mendenhall, BM Kroncke, KC Taylor, H Huang, DK Smith, ... Circulation: Cardiovascular Genetics 10 (5), e001754, 2017 | 42 | 2017 |
General purpose structure-based drug discovery neural network score functions with human-interpretable pharmacophore maps BP Brown, J Mendenhall, AR Geanes, J Meiler Journal of chemical information and modeling 61 (2), 603-620, 2021 | 38 | 2021 |
BCL:: Conf: improved open-source knowledge-based conformation sampling using the crystallography open database J Mendenhall, BP Brown, S Kothiwale, J Meiler Journal of chemical information and modeling 61 (1), 189-201, 2020 | 35 | 2020 |
4‐Aminopyridine‐sensitive outward currents in preBötzinger complex neurons influence respiratory rhythm generation in neonatal mice JA Hayes, JL Mendenhall, BR Brush, CA Del Negro The Journal of Physiology 586 (7), 1921-1936, 2008 | 29 | 2008 |
BCL:: MolAlign: three-dimensional small molecule alignment for pharmacophore mapping BP Brown, J Mendenhall, J Meiler Journal of chemical information and modeling 59 (2), 689-701, 2019 | 23 | 2019 |
3D deep learning for biological function prediction from physical fields V Golkov, MJ Skwark, A Mirchev, G Dikov, AR Geanes, J Mendenhall, ... 2020 International Conference on 3D Vision (3DV), 928-937, 2020 | 22 | 2020 |
Protein structure aids predicting functional perturbation of missense variants in SCN5A and KCNQ1 BM Kroncke, J Mendenhall, DK Smith, CR Sanders, JA Capra, AL George, ... Computational and Structural Biotechnology Journal 17, 206-214, 2019 | 21 | 2019 |
Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer-aided drug discovery BP Brown, O Vu, AR Geanes, S Kothiwale, M Butkiewicz, EW Lowe Jr, ... Frontiers in pharmacology 13, 833099, 2022 | 20 | 2022 |
Accurate prediction of contact numbers for multi-spanning helical membrane proteins B Li, J Mendenhall, ED Nguyen, BE Weiner, AW Fischer, J Meiler Journal of chemical information and modeling 56 (2), 423-434, 2016 | 13 | 2016 |
Improving prediction of helix–helix packing in membrane proteins using predicted contact numbers as restraints B Li, J Mendenhall, ED Nguyen, BE Weiner, AW Fischer, J Meiler Proteins: Structure, Function, and Bioinformatics 85 (7), 1212-1221, 2017 | 12 | 2017 |
BCL:: Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization O Vu, J Mendenhall, D Altarawy, J Meiler Journal of computer-aided molecular design 33, 477-486, 2019 | 11 | 2019 |
A multitask deep-learning method for predicting membrane associations and secondary structures of proteins B Li, J Mendenhall, JA Capra, J Meiler Journal of proteome research 20 (8), 4089-4100, 2021 | 10 | 2021 |
Interfaces between alpha-helical integral membrane proteins: characterization, prediction, and docking B Li, J Mendenhall, J Meiler Computational and Structural Biotechnology Journal 17, 699-711, 2019 | 10 | 2019 |