Identification of Small Molecule Activators of Cryptochrome T Hirota, JW Lee, PC St. John, M Sawa, K Iwaisako, T Noguchi, ... Science 337 (6098), 1094, 2012 | 494 | 2012 |
Modification of silk fibroin using diazonium coupling chemistry and the effects on hMSC proliferation and differentiation AR Murphy, PC St. John, DL Kaplan Biomaterials 29 (19), 2829-2838, 2008 | 355 | 2008 |
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost PC St. John, Y Guan, Y Kim, S Kim, RS Paton Nature Communications 11 (1), 1-12, 2020 | 220 | 2020 |
Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale DD Das, PC St. John, CS McEnally, S Kim, LD Pfefferle Combustion and Flame 190, 349-364, 2018 | 158 | 2018 |
Innovative chemicals and materials from bacterial aromatic catabolic pathways CW Johnson, D Salvachúa, NA Rorrer, BA Black, DR Vardon, PCS John, ... Joule 3 (6), 1523-1537, 2019 | 157 | 2019 |
Message-passing neural networks for high-throughput polymer screening PC St. John, C Phillips, TW Kemper, AN Wilson, Y Guan, MF Crowley, ... The Journal of chemical physics, 2019 | 112 | 2019 |
Functional network inference of the suprachiasmatic nucleus JH Abel, K Meeker, D Granados-Fuentes, PC St. John, TJ Wang, ... Proceedings of the National Academy of Sciences 113 (16), 4512-4517, 2016 | 88 | 2016 |
Succinic acid production from lignocellulosic hydrolysate by Basfia succiniciproducens D Salvachúa, H Smith, PC St. John, A Mohagheghi, DJ Peterson, ... Bioresource technology 214, 558-566, 2016 | 82 | 2016 |
Importance of engineered and learned molecular representations in predicting organic reactivity, selectivity, and chemical properties LC Gallegos, G Luchini, PC St. John, S Kim, RS Paton Accounts of Chemical Research 54 (4), 827-836, 2021 | 80 | 2021 |
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules PC St John, Y Guan, Y Kim, BD Etz, S Kim, RS Paton Scientific Data 7 (1), 1-6, 2020 | 77 | 2020 |
Electrothermal vaporization for inductively coupled plasma mass spectrometry and atomic absorption spectrometry: symbiotic analytical techniques. Invited lecture D ConradáGrÚgoire, P John Journal of Analytical Atomic Spectrometry 7 (4), 579-585, 1992 | 76 | 1992 |
Real-time prediction of 1 H and 13 C chemical shifts with DFT accuracy using a 3D graph neural network Y Guan, SVS Sowndarya, LC Gallegos, PCS John, RS Paton Chemical Science 12 (36), 12012-12026, 2021 | 71 | 2021 |
Spatiotemporal separation of PER and CRY posttranslational regulation in the mammalian circadian clock PC St. John, T Hirota, SA Kay, FJ Doyle III Proceedings of the National Academy of Sciences, 201323618, 2014 | 71 | 2014 |
Metabolic engineering of Actinobacillus succinogenes provides insights into succinic acid biosynthesis MT Guarnieri, YC Chou, D Salvachúa, A Mohagheghi, PC St. John, ... Appl. Environ. Microbiol. 83 (17), e00996-17, 2017 | 61 | 2017 |
A quantitative model for the prediction of sooting tendency from molecular structure PC St. John, P Kairys, DD Das, CS McEnally, LD Pfefferle, DJ Robichaud, ... Energy & Fuels 31 (9), 9983-9990, 2017 | 59 | 2017 |
Sooting tendencies of co-optima test gasolines and their surrogates CS McEnally, Y Xuan, PCS John, DD Das, A Jain, S Kim, TA Kwan, ... Proceedings of the Combustion Institute 37 (1), 961-968, 2019 | 58 | 2019 |
Muconic acid production from glucose and xylose in Pseudomonas putida via evolution and metabolic engineering C Ling, GL Peabody, D Salvachúa, YM Kim, CM Kneucker, CH Calvey, ... Nature Communications 13 (1), 4925, 2022 | 52 | 2022 |
Impact of ethanol blending into gasoline on aromatic compound evaporation and particle emissions from a gasoline direct injection engine MA Ratcliff, B Windom, GM Fioroni, PS John, S Burke, J Burton, ... Applied Energy 250, 1618-1631, 2019 | 52 | 2019 |
Performance-advantaged ether diesel bioblendstock production by a priori design NA Huq, X Huo, GR Hafenstine, SM Tifft, J Stunkel, ED Christensen, ... Proceedings of the National Academy of Sciences 116 (52), 26421-26430, 2019 | 51 | 2019 |
Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries SS SV, JN Law, CE Tripp, D Duplyakin, E Skordilis, D Biagioni, RS Paton, ... Nature Machine Intelligence 4 (8), 720-730, 2022 | 47 | 2022 |