| Direct visualization of critical hydrogen atoms in a pyridoxal 5′-phosphate enzyme S Dajnowicz, RC Johnston, JM Parks, MP Blakeley, DA Keen, KL Weiss, ... Nature communications 8 (1), 1-9, 2017 | 62 | 2017 |
| Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5′-phosphate in aspartate aminotransferase S Dajnowicz, JM Parks, X Hu, K Gesler, AY Kovalevsky, TC Mueser Journal of Biological Chemistry 292 (14), 5970-5980, 2017 | 44 | 2017 |
| High-dimensional neural network potential for liquid electrolyte simulations S Dajnowicz, G Agarwal, J Stevenson, L Jacobson, F Ramezanghorbani, ... | 28 | 2022 |
| Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives CM Goins, S Dajnowicz, S Thanna, SJ Sucheck, JM Parks, DR Ronning ACS infectious diseases 3 (5), 378-387, 2017 | 27 | 2017 |
| Mycolyltransferase from Mycobacterium tuberculosis in covalent complex with tetrahydrolipstatin provides insights into antigen 85 catalysis CM Goins, S Dajnowicz, MD Smith, JM Parks, DR Ronning Journal of Biological Chemistry 293 (10), 3651-3662, 2018 | 22 | 2018 |
| Hyperconjugation promotes catalysis in a pyridoxal 5′-phosphate-dependent enzyme S Dajnowicz, JM Parks, X Hu, RC Johnston, AY Kovalevsky, TC Mueser ACS Catalysis 8 (7), 6733-6737, 2018 | 16 | 2018 |
| Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state S Dajnowicz, S Seaver, BL Hanson, SZ Fisher, P Langan, AY Kovalevsky, ... Acta Crystallographica Section D: Structural Biology 72 (7), 892-903, 2016 | 14 | 2016 |
| Pyridoxal 5′-phosphate dependent reactions: Analyzing the mechanism of aspartate aminotransferase TC Mueser, V Drago, A Kovalevsky, S Dajnowicz Methods in Enzymology 634, 333-359, 2020 | 13 | 2020 |
| Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials S Dajnowicz, D Ghoreishi, K Modugula, W Damm, ED Harder, R Abel, ... Journal of Chemical Theory and Computation 16 (11), 6926-6937, 2020 | 12 | 2020 |
| Structural basis for lipid binding and mechanism of the Mycobacterium tuberculosis Rv3802 phospholipase CM Goins, CM Schreidah, S Dajnowicz, DR Ronning Journal of Biological Chemistry 293 (4), 1363-1372, 2018 | 11 | 2018 |
| Substrate Binding Stiffens Aspartate Aminotransferase by Altering the Enzyme Picosecond Vibrational Dynamics S Dajnowicz, Y Cheng, LL Daemen, KL Weiss, O Gerlits, TC Mueser, ... ACS omega 5 (30), 18787-18797, 2020 | 9 | 2020 |
| 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, 2022 | 6 | 2022 |
| Leveraging Multitask Learning to Improve the Transferability of Machine Learned Force Fields L Jacobson, J Stevenson, F Ramezanghorbani, S Dajnowicz, K Leswing | 4 | 2023 |
| Direct observation of protonation states in a PLP-dependent enzyme by neutron crystallography S Dajnowicz, M Blakeley, D Keen, A Kovalevsky, T Mueser ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 73, A26-A26, 2017 | 1 | 2017 |
| Visualization of Pronation States in PLP Dependent Enzymes S Dajnowicz, T Mueser, L Hanson, C Schall The FASEB Journal 29 (1_supplement), 572.25, 2015 | 1 | 2015 |
| Transfer Learning Lithium and Electrolyte Potential Energy Surfaces from Pure and Hybrid DFT JM Stevenson, LD Jacobson, G Agarwal, S Dajnowicz AI for Accelerated Materials Design NeurIPS 2022 Workshop, 0 | 1* | |
| Neutron Diffraction Studies of PLP-Dependent Enzymes S Dajnowicz, RC Johnston, JM Parks, MP Blakeley, DA Keen, K Weiss, ... Foundations of Crystallography 75, a131, 2019 | | 2019 |
| Neutron Diffraction Studies of Pyridoxal-5’-Phosphate Dependent Enzymes. TC Mueser, S Dajnowicz, A Kovalevsky, JM Parks Foundations of Crystallography 74, a36, 2018 | | 2018 |
| Electronic Modulation in Pyridoxal-5’-Phosphate-Dependent Enzymes S Dajnowicz University of Toledo, 2018 | | 2018 |
| Deciphering the Selectivity and Reactivity of Ebselen Derivatives toward Mycobacterium tuberculosis Antigen 85C CM Goins, S Dajnowicz, S Thanna, SJ Sucheck, JM Parks, DR Ronning The FASEB Journal 31 (1_supplement), 921.14-921.14, 2017 | | 2017 |
