| Small-molecule ligand docking into comparative models with Rosetta SA Combs, SL DeLuca, SH DeLuca, GH Lemmon, DP Nannemann, ... Nature protocols 8 (7), 1277-1298, 2013 | 215 | 2013 |
| Exploring tunable hyperparameters for deep neural networks with industrial ADME data sets Y Zhou, S Cahya, SA Combs, CA Nicolaou, J Wang, PV Desai, J Shen Journal of chemical information and modeling 59 (3), 1005-1016, 2018 | 82 | 2018 |
| Lm-gvp: an extensible sequence and structure informed deep learning framework for protein property prediction Z Wang, SA Combs, R Brand, MR Calvo, P Xu, G Price, N Golovach, ... Scientific reports 12 (1), 6832, 2022 | 76 | 2022 |
| Computational design of protein-small molecule interfaces B Allison, S Combs, S DeLuca, G Lemmon, L Mizoue, J Meiler Journal of structural biology 185 (2), 193-202, 2014 | 44 | 2014 |
| Exploring symmetry as an avenue to the computational design of large protein domains C Fortenberry, EA Bowman, W Proffitt, B Dorr, S Combs, J Harp, L Mizoue, ... Journal of the American Chemical Society 133 (45), 18026-18029, 2011 | 42 | 2011 |
| A conserved asparagine residue in transmembrane segment 1 (TM1) of serotonin transporter dictates chloride-coupled neurotransmitter transport LK Henry, H Iwamoto, JR Field, K Kaufmann, ES Dawson, MT Jacobs, ... Journal of Biological Chemistry 286 (35), 30823-30836, 2011 | 38 | 2011 |
| Y95 and E444 interaction required for high-affinity S-citalopram binding in the human serotonin transporter S Combs, K Kaufmann, JR Field, RD Blakely, J Meiler ACS Chemical Neuroscience 2 (2), 75-81, 2011 | 12 | 2011 |
| Lm-gvp: A generalizable deep learning framework for protein property prediction from sequence and structure Z Wang, SA Combs, R Brand, MR Calvo, P Xu, G Price, N Golovach, ... bioRxiv, 2021.09. 21.460852, 2021 | 6 | 2021 |
| Holistic approach to partial covalent interactions in protein structure prediction and design with rosetta SA Combs, BK Mueller, J Meiler Journal of chemical information and modeling 58 (5), 1021-1036, 2018 | 5 | 2018 |
| A conserved asparagine residue in TM1 of the serotonin transporter dictates chloride-coupled neurotransmitter transport LK Henry, H Iwamoto, JR Field, K Kaufmann, ES Dawson, MT Jacobs, ... J Biol Chem 286, 30823-30836, 2011 | 5 | 2011 |
| EGGNet, a generalizable geometric deep learning framework for protein complex pose scoring Z Wang, R Brand, J Adolf-Bryfogle, J Grewal, Y Qi, SA Combs, ... ACS omega 9 (7), 7471-7479, 2024 | 3 | 2024 |
| Identification and scoring of partial covalent interactions in proteins and protein ligand complexes SA Combs Vanderbilt University, 2013 | 1 | 2013 |
| Partial Covalent Interactions in Protein Design S Combs, J Meiler PROTEIN SCIENCE 21, 230-231, 2012 | 1 | 2012 |
| Bridging biomolecular modalities for knowledge transfer in bio-language models M Prakash, A Moskalev, PA DiMaggio, S Combs, T Mansi, J Scheer, ... bioRxiv, 2024.10. 15.618385, 2024 | | 2024 |
| Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders T Scott, CAP Smethurst, Y Westermaier, M Mayer, P Greb, R Kousek, ... | | 2023 |
| Designing artificial TIM-barrel proteins from scratch: the Octarellin model CE Martina, M Figueroa, C Gutierrez-Maroto, R Moretti, S Combs, J Meiler, ... EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S276-S276, 2017 | | 2017 |
| FolditDD: Crowdsourcing drug discovery S Combs, S Kothiwale, J Meiler, M Vieth ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| A novel protocol for the design of artificial (β/α) 8-barrel proteins C Martina, M Figueroa Yévenes, S Combs, R Moretti, C Van de Weerdt, ... 67. Mosbacher Kolloquium,“Protein Design: From First Principles to …, 2016 | | 2016 |
| A novel secondary structure element assembly protocol for the design of artificial (beta alpha) 8-barrel proteins using ROSETTA CE Martina, S Combs, R Moretti, M Figueroa, C Van De Weerdt, ... PROTEIN SCIENCE 24, 211-211, 2015 | | 2015 |
| Knowledge based conformation sampling algorithms and its application in Foldit drug design game S Kothiwale, J Mendenhall, S Combs, J Meiler ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |