ZINC 15–ligand discovery for everyone T Sterling, JJ Irwin Journal of chemical information and modeling 55 (11), 2324-2337, 2015 | 3168 | 2015 |
ZINC: a free tool to discover chemistry for biology JJ Irwin, T Sterling, MM Mysinger, ES Bolstad, RG Coleman Journal of chemical information and modeling 52 (7), 1757-1768, 2012 | 2940 | 2012 |
An aggregation advisor for ligand discovery JJ Irwin, D Duan, H Torosyan, AK Doak, KT Ziebart, T Sterling, ... Journal of medicinal chemistry 58 (17), 7076-7087, 2015 | 422 | 2015 |
Ligand pose and orientational sampling in molecular docking RG Coleman, M Carchia, T Sterling, JJ Irwin, BK Shoichet PloS one 8 (10), e75992, 2013 | 196 | 2013 |
Revealing the specificity of regulatory T cells in murine autoimmune diabetes A Spence, W Purtha, J Tam, S Dong, Y Kim, CH Ju, T Sterling, ... Proceedings of the National Academy of Sciences 115 (20), 5265-5270, 2018 | 78 | 2018 |
The recognition of identical ligands by unrelated proteins S Barelier, T Sterling, MJ O’Meara, BK Shoichet ACS chemical biology 10 (12), 2772-2784, 2015 | 78 | 2015 |
Predicted biological activity of purchasable chemical space JJ Irwin, G Gaskins, T Sterling, MM Mysinger, MJ Keiser Journal of Chemical Information and Modeling 58 (1), 148-164, 2018 | 37 | 2018 |
SAMPL4 & DOCK3. 7: lessons for automated docking procedures RG Coleman, T Sterling, DR Weiss Journal of computer-aided molecular design 28, 201-209, 2014 | 30 | 2014 |
Identifying therapeutic drug targets using bidirectional effect genes LRC Karol Estrada, Steven Froelich, Arthur Wuster, Christopher R Bauer ... Nature Communications 12 (2224), 2021 | 16 | 2021 |
A molecular basis for innovation in drug excipients JJ Irwin, J Pottel, L Zou, H Wen, S Zuk, X Zhang, T Sterling, BK Shoichet, ... Clinical Pharmacology & Therapeutics 101 (3), 320-323, 2017 | 13 | 2017 |
Identifying therapeutic drug targets for rare and common forms of short stature K Estrada, S Froelich, A Wuster, CR Bauer, T Sterling, WT Clark, Y Ru, ... bioRxiv, 2020.04. 02.022624, 2020 | 4 | 2020 |
Evaluation of enzyme activity predictions for variants of unknown significance in Arylsulfatase A S Jain, M Trinidad, TB Nguyen, K Jones, SD Neto, F Ge, A Glagovsky, ... bioRxiv, 2024 | | 2024 |
Islet Tconv J Tam, S Dong, Y Kim, CH Ju, T Sterling PNAS 115 (20), 5265-5270, 2018 | | 2018 |
Ligand Pose and Orientational Sampling in Molecular Docking B Shoichet, RG Coleman, M Carchia, T Sterling, JJ Irwin, BK Shoichet | | 2013 |
Supporting Information for Predicted Biological Activity of Purchasable Chemical Space JJ Irwin, G Gaskins, T Sterling, MM Mysinger, MJ Keiser | | |