| Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase VN Drago, JM Devos, MP Blakeley, VT Forsyth, JM Parks, A Kovalevsky, ... Cell Reports Physical Science 5 (2), 2024 | 2 | 2024 |
| HLA-Clus: HLA class I clustering based on 3D structure Y Shen, JM Parks, JC Smith BMC Bioinformatics 24 (1), 1-13, 2023 | | 2023 |
| Predicted structural proteome of Sphagnum divinum and proteome-scale annotation RB Davidson, M Coletti, M Gao, B Piatkowski, A Sreedasyam, F Quadir, ... Bioinformatics 39 (8), btad511, 2023 | 1 | 2023 |
| Conformational restriction shapes the inhibition of a multidrug efflux adaptor protein B Russell Lewis, MR Uddin, M Moniruzzaman, KM Kuo, AJ Higgins, ... Nature Communications 14 (1), 3900, 2023 | 12 | 2023 |
| Covalent inhibitors of coronavirus papain-like protease B Sanders, SS Galanie, JM Parks US Patent App. 17/896,182, 2023 | | 2023 |
| Potent and Selective Covalent Inhibitors of the Papain-like Protease from SARS-CoV-2 B Sanders, S Pohkrel, A Labbe, I Mathews, C Cooper, R Davidson, ... Nature Communications 14 (1733), 2023 | 37 | 2023 |
| HLA Class I Supertype Classification Based on Structural Similarity Y Shen, JM Parks, JC Smith Journal of Immunology 210 (1), 103–114, 2022 | 6 | 2022 |
| Transcriptional control of hgcAB by an ArsR-like regulator in Pseudodesulfovibrio mercurii ND132 CM Gionfriddo, A Soren, AM Wymore, DS Hartnett, M Podar, JM Parks, ... Applied Environmental Microbiology 89 (4), 2022 | 10 | 2022 |
| Analysis of orthogonal efflux and permeation properties of compounds leads to the discovery of new efflux pump inhibitors M Moniruzzaman, CJ Cooper, MR Uddin, JK Walker, JM Parks, ... ACS infectious diseases 8 (10), 2149-2160, 2022 | 5 | 2022 |
| Core cysteine residues in the Plasminogen-Apple-Nematode (PAN) domain are critical for HGF/c-MET signaling D Pal, K De, CM Shanks, K Feng, TB Yates, J Morrell-Falvey, ... Communications Biology 5 (1), 646, 2022 | 5 | 2022 |
| OpenMDlr: parallel, open-source tools for general protein structure modeling and refinement from pairwise distances RB Davidson, J Woods, TC Effler, M Thavappiragasam, JC Mitchell, ... Bioinformatics 38 (12), 3297-3298, 2022 | | 2022 |
| Property space mapping of Pseudomonas aeruginosa permeability to small molecules IV Leus, JW Weeks, V Bonifay, Y Shen, L Yang, CJ Cooper, D Nash, ... Scientific Reports 12 (1), 1-17, 2022 | 10 | 2022 |
| Proteome-scale Structure Prediction Data-Pseudodesulfovibrio mercurii RB Davidson, M Coletti, M Gao, JM Parks, A Sedova Oak Ridge National Lab.(ORNL), Oak Ridge, TN (United States). Oak Ridge …, 2022 | | 2022 |
| Hit expansion of a noncovalent SARS-CoV-2 main protease inhibitor J Glaser, A Sedova, S Galanie, DW Kneller, RB Davidson, E Maradzike, ... ACS Pharmacology & Translational Science 5 (4), 255-265, 2022 | 21 | 2022 |
| AF2Complex predicts direct physical interactions in multimeric proteins with deep learning M Gao, D Nakajima An, JM Parks, J Skolnick Nature Communications 13 (1), 1744, 2022 | 180 | 2022 |
| An N⋯ H⋯ N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction VN Drago, S Dajnowicz, JM Parks, MP Blakeley, DA Keen, N Coquelle, ... Chemical Science 13 (34), 10057-10065, 2022 | 7 | 2022 |
| Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pump JC Gumbart, JL Ferreira, H Hwang, AJ Hazel, CJ Cooper, JM Parks, ... Biophysical Journal 120 (18), 3973-3982, 2021 | 19 | 2021 |
| Pretreatment with sodium methyl mercaptide increases carbohydrate yield during kraft pulping CJ Cooper, R Patil, L Bu, Z Mou, DB Turpin, A van Heiningen, JM Parks, ... ACS Sustainable Chemistry & Engineering 9 (34), 11571-11580, 2021 | 4 | 2021 |
| Mechanistic duality of bacterial efflux substrates and inhibitors: Example of simple substituted cinnamoyl and naphthyl amides N D’Cunha, M Moniruzzaman, K Haynes, G Malloci, CJ Cooper, ... ACS Infectious Diseases 7 (9), 2650-2665, 2021 | 17 | 2021 |
| Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement RB Davidson, M Thavappiragasam, TC Effler, J Woods, DA Elias, ... Proceedings of the 12th ACM Conference on Bioinformatics, Computational …, 2021 | 1 | 2021 |
Jeremy C SmithUniversity of Tennessee KnoxvilleVerified email at ornl.gov