| Proton-Coupled Electron Transfer from Tyrosine in the Interior of a de novo Protein: Mechanisms and Primary Proton Acceptor A Nilsen-Moe, CR Reinhardt, SD Glover, L Liang, S Hammes-Schiffer, ... Journal of the American Chemical Society 142 (26), 11550-11559, 2020 | 31 | 2020 |
| Propensity for proton relay and electrostatic impact of protein reorganization in Slr1694 BLUF photoreceptor JJ Goings, CR Reinhardt, S Hammes-Schiffer Journal of the American Chemical Society 140 (45), 15241-15251, 2018 | 30 | 2018 |
| Conformational Motions and Water Networks at the α/β Interface in E. coli Ribonucleotide Reductase CR Reinhardt, P Li, G Kang, JA Stubbe, CL Drennan, S Hammes-Schiffer Journal of the American Chemical Society 142 (32), 13768-13778, 2020 | 25 | 2020 |
| Role of water in proton-coupled electron transfer between tyrosine and cysteine in ribonucleotide reductase J Zhong, CR Reinhardt, S Hammes-Schiffer Journal of the American Chemical Society 144 (16), 7208-7214, 2022 | 18 | 2022 |
| Effect of stacking interactions on the thermodynamics and kinetics of lumiflavin: A study with improved density functionals and density functional tight-binding protocol CG Bresnahan, CR Reinhardt, TG Bartholow, JP Rumpel, M North, ... The Journal of Physical Chemistry A 119 (1), 172-182, 2015 | 17 | 2015 |
| Cyclic Changes in Active Site Polarization and Dynamics Drive the “Ping-pong” Kinetics in NRH: Quinone Oxidoreductase 2: An Insight from QM/MM Simulations CR Reinhardt, QH Hu, CG Bresnahan, S Hati, S Bhattacharyya ACS catalysis 8 (12), 12015-12029, 2018 | 15 | 2018 |
| Glutamate Mediates Proton-Coupled Electron Transfer Between Tyrosines 730 and 731 in Escherichia coli Ribonucleotide Reductase CR Reinhardt, ER Sayfutyarova, J Zhong, S Hammes-Schiffer Journal of the American Chemical Society 143 (16), 6054-6059, 2021 | 13 | 2021 |
| Orchestrating a highly interactive virtual student research symposium JG Freeze, JA Martin, P Fitzgerald, DJ Jakiela, CR Reinhardt, AS Newton Journal of Chemical Education 97 (9), 2773-2778, 2020 | 10 | 2020 |
| Editing domain motions preorganize the synthetic active site of prolyl-tRNA synthetase QH Hu, MT Williams, I Shulgina, CJ Fossum, KM Weeks, LM Adams, ... ACS catalysis 10 (17), 10229-10242, 2020 | 9 | 2020 |
| Kinetic model for reversible radical transfer in ribonucleotide reductase CR Reinhardt, D Konstantinovsky, AV Soudackov, S Hammes-Schiffer Proceedings of the National Academy of Sciences 119 (25), e2202022119, 2022 | 7 | 2022 |
| Computing proton-coupled redox potentials of fluorotyrosines in a protein environment CR Reinhardt, R Sequeira, C Tommos, S Hammes-Schiffer The Journal of Physical Chemistry B 125 (1), 128-136, 2020 | 7 | 2020 |
| Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study CR Reinhardt, TC Jaglinski, AM Kastenschmidt, EH Song, AK Gross, ... Journal of molecular modeling 22, 1-15, 2016 | 7 | 2016 |
| Direct proton-coupled electron transfer between interfacial tyrosines in ribonucleotide reductase J Zhong, CR Reinhardt, S Hammes-Schiffer Journal of the American Chemical Society 145 (8), 4784-4790, 2023 | 5 | 2023 |
| Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein A Nilsen-Moe, CR Reinhardt, P Huang, H Agarwala, R Lopes, M Lasagna, ... Chemical Science 15 (11), 3957-3970, 2024 | 2 | 2024 |
| Student‐led workshop strengthens perceived discussion skills and community in an interdisciplinary graduate program C Shipps, KL Thrush, CR Reinhardt, SA Siwiecki, JL Claydon, DB Noble, ... FASEB BioAdvances 5 (1), 1, 2023 | 2 | 2023 |
| Protein3D: Enabling analysis and extraction of metal‐containing sites from the Protein Data Bank with molSimplify F Edholm, A Nandy, CR Reinhardt, DW Kastner, HJ Kulik Journal of Computational Chemistry 45 (6), 352-361, 2024 | 1 | 2024 |
| No Bridge Between Us: Two Distant Iron Ions Comprise the Active Site of Alkane Monooxygenase (AlkB) C Reinhardt, J Lee, L Hendricks, T Green, L Kunczynski, AJ Roberts, ... | | 2024 |
| Computational Screening of Putative Catalyst Transition Metal Complexes as Guests in a Ga4L612– Nanocage CR Reinhardt, MT Manetsch, WL Li, Y Román-Leshkov, T Head-Gordon, ... Inorganic Chemistry 63 (31), 14609-14622, 2024 | | 2024 |
| Dynamic Charge Distribution as a Key Driver of Catalytic Reactivity in an Artificial Metalloenzyme D Kastner, C Reinhardt, H Adamji, M Manetsch, Y Román-Leshkov, ... | | 2024 |
| Tyrosine Mediated Proton-Coupled Electron Transfer Reactions CR Reinhardt Yale University, 2022 | | 2022 |
