• Method Development for QSAR Ligand-based Virtual Screening
• Knowledge-Based Small Molecule Conformational Sampling
• Novel HTS Datasets composed to benchmark ligand-based QSAR Modeling

Butkiewicz M;Lowe EW, Mueller R, Mendenhall JL, Teixeira PL, Weaver CD, Meiler J.
Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database (2013) Molecules

Sliwoski G; Mendenhall J, Meiler J
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign. (2016) J Comput Aided Mol Des

Li B;Mendenhall J, Nguyen ED, Weiner BE, Fischer AW, Meiler J.
Improving prediction of helix-helix packing in membrane proteins using predicted contact numbers as restraints (2017) Proteins

Teixeira PL;Mendenhall JL, Heinze S, Weiner B, Skwark MJ, Meiler J.
Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning. (2017) PLoS One

Li B;Mendenhall JL, Kroncke BM, Taylor KC, Huang H, Smith DK, Vanoye CG, Blume JD, George AL Jr, Sanders CR, Meiler J.
Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance. (2017) Circ Cardiovasc Genet.

Karen Joan Gregory;Elizabeth D Nguyen, Chrysa Malosh, Jeffrey L Mendenhall, Jessica Z Zic, Brittney S Bates, Meredith J Noetzel, Emma F Squire, Eric M Turner, Jerri M. Rook, Kyle A Emmitte, Shaun R. Stauffer, Craig W Lindsley, Jens Meiler, and P. Jeffrey Conn
Identification of specific ligand-receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site (2014) ACS Chemical Neuroscience

Bian Li;Jeffrey Mendenhall, Elizabeth Dong Nguyen, Brian E. Weiner, Axel Fischer, and Jens Meiler
Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins (2016) Journal of Chemical Information and Modeling

Sandeepkumar Kothiwale;Jeffrey Mendenhall, Jens Meiler
BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library (2015) Journal of Cheminformatics

Jeffrey Mendenhall;Jens Meiler
Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout (2016) Journal of Computer-Aided Molecular Design

Brett M. Kroncke;Amanda M. Duran, Jeffrey L. Mendenhall, Jens Meiler, Jeffrey D. Blume, Charles R. Sanders
Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability (2016) American Chemical Society

Gregory Sliwoski;Jeffrey Mendenhall, Jens Meiler
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign (2015) Journal of Computer-Aided Molecular Design