| Accurate p K a calculations for carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods MD Liptak, GC Shields Journal of the American Chemical Society 123 (30), 7314-7319, 2001 | 666 | 2001 |
| Absolute p K a determinations for substituted phenols MD Liptak, KC Gross, PG Seybold, S Feldgus, GC Shields Journal of the American Chemical Society 124 (22), 6421-6427, 2002 | 659 | 2002 |
| Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission H Qian, ME Cousins, EH Horak, A Wakefield, MD Liptak, I Aprahamian Nature chemistry 9 (1), 83-87, 2017 | 346 | 2017 |
| Experimentation with different thermodynamic cycles used for pKa calculations on carboxylic acids using complete basis set and Gaussian‐n models combined … MD Liptak, GC Shields International Journal of Quantum Chemistry 85 (6), 727-741, 2001 | 226 | 2001 |
| Accurate relative pKa calculations for carboxylic acids using complete basis set and Gaussian-n models combined with continuum solvation methods AM Toth, MD Liptak, DL Phillips, GC Shields The Journal of Chemical Physics 114 (10), 4595-4606, 2001 | 206 | 2001 |
| Comparison of CBS-QB3, CBS-APNO, and G3 predictions of gas phase deprotonation data EK Pokon, MD Liptak, S Feldgus, GC Shields The Journal of Physical Chemistry A 105 (45), 10483-10487, 2001 | 142 | 2001 |
| Spectroscopic and computational studies of Co1+ cobalamin: spectral and electronic properties of the “superreduced” B12 cofactor MD Liptak, TC Brunold Journal of the American Chemical Society 128 (28), 9144-9156, 2006 | 118 | 2006 |
| NMR and DFT Investigation of Heme Ruffling: Functional Implications for Cytochrome c MD Liptak, X Wen, KL Bren Journal of the American Chemical Society 132 (28), 9753-9763, 2010 | 108 | 2010 |
| Reducing protein oxidation reverses lung fibrosis V Anathy, KG Lahue, DG Chapman, SB Chia, DT Casey, R Aboushousha, ... Nature medicine 24 (8), 1128-1135, 2018 | 103 | 2018 |
| The Mycobacterium tuberculosis secreted protein Rv0203 transfers heme to membrane proteins MmpL3 and MmpL11 CP Owens, N Chim, AB Graves, CA Harmston, A Iniguez, H Contreras, ... Journal of Biological Chemistry 288 (30), 21714-21728, 2013 | 102 | 2013 |
| Comparison of CBS-QB3, CBS-APNO, G2, and G3 thermochemical predictions with experiment for formation of ionic clusters of hydronium and hydroxide ions complexed with water FC Pickard, EK Pokon, MD Liptak, GC Shields The Journal of chemical physics 122 (2), 2005 | 78 | 2005 |
| The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate MD Liptak, RD Fagerlund, EC Ledgerwood, SM Wilbanks, KL Bren Journal of the American Chemical Society 133 (5), 1153-1155, 2011 | 62 | 2011 |
| Comparison of density functional theory predictions of gas‐phase deprotonation data MD Liptak, GC Shields International journal of quantum chemistry 105 (6), 580-587, 2005 | 55 | 2005 |
| Conformational change and human cytochrome c function: mutation of residue 41 modulates caspase activation and destabilizes Met-80 coordination TM Josephs, MD Liptak, G Hughes, A Lo, RM Smith, SM Wilbanks, ... JBIC Journal of Biological Inorganic Chemistry 18, 289-297, 2013 | 44 | 2013 |
| Spectroscopic and computational characterization of the base-off forms of cob (II) alamin MD Liptak, AS Fleischhacker, RG Matthews, J Telser, TC Brunold The Journal of Physical Chemistry B 113 (15), 5245-5254, 2009 | 43 | 2009 |
| Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD AB Graves, RP Morse, A Chao, A Iniguez, CW Goulding, MD Liptak Inorganic Chemistry 53 (12), 5931-5940, 2014 | 42 | 2014 |
| Measurement of heme ruffling changes in MhuD using UV–vis spectroscopy AB Graves, MT Graves, MD Liptak The Journal of Physical Chemistry B 120 (16), 3844-3853, 2016 | 40 | 2016 |
| Light-Driven, Zirconium-Catalyzed Hydrophosphination with Primary Phosphines CA Bange, MA Conger, BT Novas, ER Young, MD Liptak, R Waterman ACS Catalysis 8 (7), 6230-6238, 2018 | 37 | 2018 |
| Spectroscopically validated density functional theory studies of the B12 cofactors and their interactions with enzyme active sites TC Brunold, KS Conrad, MD Liptak, K Park Coordination Chemistry Reviews 253 (5-6), 779-794, 2009 | 36 | 2009 |
| Spectroscopically-validated Density Functional Theory Studies of the B12 Cofactors and their Interactions with Enzyme Active Sites TC Brunold, KS Conrad, MD Liptak, K Park Coordination Chemistry Reviews 253, 779-794, 2008 | 36 | 2008 |
