Publications

See also Mike Reppert's Google Scholar profile.

    2024

  1. Wat, Jacob H.; Pizzala, Nicolas J.; Reppert, Mike; "Isotope Reverse-Labeled Infrared Spectroscopy as a Probe of In-Cell Protein Structure". The Journal of Physical Chemistry B, 0, null (2024).
  2. Lin, Chientzu; Mazor, Yuval; Reppert, Mike; "Feeling the Strain: Quantifying Ligand Deformation in Photosynthesis". The Journal of Physical Chemistry B, 128, 2266-2280 (2024).
  3. Grechishnikova, Galina; Wat, Jacob H.; de Cordoba, Nicolas; Miyake, Ethan; Phadkule, Amala; Srivastava, Amit; Savikhin, Sergei; Slipchenko, Lyudmila; Huang, Libai; Reppert, Mike; "Controlling Vibronic Coupling in Chlorophyll Proteins: The Effects of Excitonic Delocalization and Vibrational Localization". The Journal of Physical Chemistry Letters, 15, 9456-9465 (2024).
  4. Ennist, Nathan M.; Wang, Shunzhi; Kennedy, Madison A.; Curti, Mariano; Sutherland, George A.; Vasilev, Cvetelin; Redler, Rachel L.; Maffeis, Valentin; Shareef, Saeed; Sica, Anthony V.; Hua, Ash Sueh; Deshmukh, Arundhati P.; Moyer, Adam P.; Hicks, Derrick R.; Swartz, Avi Z.; Cacho, Ralph A.; Novy, Nathan; Bera, Asim K.; Kang, Alex; Sankaran, Banumathi; Johnson, Matthew P.; Phadkule, Amala; Reppert, Mike; Ekiert, Damian; Bhabha, Gira; Stewart, Lance; Caram, Justin R.; Stoddard, Barry L.; Romero, Elisabet; Hunter, C. Neil; Baker, David; "De novo design of proteins housing excitonically coupled chlorophyll special pairs". Nature Chemical Biology, (2024).
  5. Ahad, S.; Lin, C.; Reppert, M.; "PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations". The Journal of Chemical Physics, 160, 154111 (2024).

    6. 2023

  6. Reppert, Mike; Reppert, Deborah; "Equivalence of quantum and classical third order response for weakly anharmonic coupled oscillators". The Journal of Chemical Physics, 158, (2023).
  7. Reppert, Mike; "Bioexcitons by Design: How Do We Get There?". The Journal of Physical Chemistry B, 127, 1872-1879 (2023).

    8. 2021

  8. Chelius, Kevin; Wat, Jacob H.; Phadkule, Amala; Reppert, Mike; "Distinct electrostatic frequency tuning rates for amide I and amide I′ vibrations". J. Chem. Phys., 155, 195101 (2021).
  9. Srivastava, Amit; Ahad, Safa; Wat, Jacob H.; Reppert, Mike; "Accurate prediction of mutation-induced frequency shifts in chlorophyll proteins with a simple electrostatic model". The Journal of Chemical Physics, 155, 151102 (2021).
  10. Reppert, Mike; Reppert, Deborah; "Diagrammatic approach to classical coherent two-dimensional infrared spectroscopy". Phys. Rev. A, 104, 033519 (2021).
  11. Dobson, Zachary; Ahad, Safa; Vanlandingham, Jackson; Toporik, Hila; Vaughn, Natalie; Vaughn, Michael; Williams, Dewight; Reppert, Michael; Fromme, Petra; Mazor, Yuval; "The structure of photosystem I from a high-light-tolerant cyanobacteria". eLife, 10, e67518 (2021).

    12. 2020

  12. Reppert, Mike; Reppert, Deborah; Pachon, Leonardo A.; Brumer, Paul; "Equilibrium stationary coherence in the multilevel spin-boson model". Phys. Rev. A, 102, 012211 (2020).
  13. Reppert, Mike; "Delocalization Effects in Chlorophyll Fluorescence: Nonperturbative Line Shape Analysis of a Vibronically Coupled Dimer". The Journal of Physical Chemistry B, 124, 10024-10033 (2020).
  14. Baiz, Carlos R.; Błasiak, Bartosz; Bredenbeck, Jens; Cho, Minhaeng; Choi, Jun-Ho; Corcelli, Steven A.; Dijkstra, Arend G.; Feng, Chi-Jui; Garrett-Roe, Sean; Ge, Nien-Hui; Hanson-Heine, Magnus W. D.; Hirst, Jonathan D.; Jansen, Thomas L. C.; Kwac, Kijeong; Kubarych, Kevin J.; Londergan, Casey H.; Maekawa, Hiroaki; Reppert, Mike; Saito, Shinji; Roy, Santanu; Skinner, James L.; Stock, Gerhard; Straub, John E.; Thielges, Megan C.; Tominaga, Keisuke; Tokmakoff, Andrei; Torii, Hajime; Wang, Lu; Webb, Lauren J.; Zanni, Martin T.; "Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction". Chemical Reviews, 120, 7152-7218 (2020).

    15. 2018

  15. Reppert, Mike; Brumer, Paul; "Quantumness in light harvesting is determined by vibrational dynamics". J. Chem. Phys., 149, 234102 (2018).
  16. Reppert, Mike; Brumer, Paul; "Classical Coherent Two-dimensional Vibrational Spectroscopy". J. Chem. Phys., 148, 064101 (2018).

    17. 2016

  17. Reppert, Mike; Roy, Anish R.; Tempkin, Jeremy O. B.; Dinner, Aaron R.; Tokmakoff, Andrei; "Refining Disordered Peptide Ensembles with Computational Amide I Spectroscopy: Application to Elastin-Like Peptides". J. Phys. Chem. B, 120, 11395-11404 (2016).
  18. Reppert, Mike; Tokmakoff, Andrei; "Computational Amide I 2D IR Spectroscopy as a Probe of Protein Structure and Dynamics". Ann. Rev. Phys. Chem., 67, 359-386 (2016).

    19. 2015

  19. Vrandecic, Kamarniso; Ratsep, Margus; Wilk, Laura; Rusevich, Leonid; Golub, Maksym; Reppert, Mike; Irrgang, Klaus-Dieter; Kuhlbrandt, Werner; Pieper, Jorg; "Protein Dynamics Tunes Excited State Positions in Light-Harvesting Complex II". J. Phys. Chem. B, 119, 3920-3930 (2015).
  20. Reppert, Mike; Tokmakoff, Andrei; "Communication: Quantitative multi-site frequency maps for amide I vibrational spectroscopy". J. Chem. Phys., 143, 061102 (2015).
  21. Reppert, Mike; Roy, Anish R.; Tokmakoff, Andrei; "Isotope-enriched protein standards for computational amide I spectroscopy". J. Chem. Phys., 142, 125104 (2015).
  22. Reppert, Mike; Kell, Adam; Pruitt, Thomas; Jankowiak, Ryszard; "Comments on the optical lineshape function: Application to transient hole-burned spectra of bacterial reaction centers". J. Chem. Phys., 142, 094111 (2015).

    23. 2014

  23. De Marco, Luigi; Thamer, Martin; Reppert, Mike; Tokmakoff, Andrei; "Direct observation of intermolecular interactions mediated by hydrogen bonding". J. Chem. Phys., 141, 034502 (2014).
  24. Lin, Chen; Reppert, Mike; Feng, Ximao; Jankowiak, Ryszard; "Modeling of fluorescence line-narrowed spectra in weakly coupled dimers in the presence of excitation energy transfer". J. Chem. Phys., 141, 035101 (2014).

    25. 2013

  25. Baiz, Carlos; Reppert, Mike; Tokmakoff, Andrei"Ultrafast Infrared Vibrational Spectroscopy In Ultrafast Infrared Vibrational Spectroscopy , M.D. Fayer, editor, Chapter 12, 361-404. Taylor \& Francis, Boca Raton(2013).
  26. Kell, Adam; Feng, Ximao; Reppert, Mike; Jankowiak, Ryszard; "On the Shape of the Phonon Spectral Density in Photosynthetic Complexes". J. Phys. Chem. B, 117, 7317-7323 (2013).
  27. Baiz, Carlos R.; Reppert, Mike; Tokmakoff, Andrei; "Amide I Two-Dimensional Infrared Spectroscopy: Methods for Visualizing the Vibrational Structure of Large Proteins". J. Phys. Chem. A, 117, 5955-5961 (2013).
  28. Reppert, Mike; Tokmakoff, Andrei; "Electrostatic frequency shifts in amide I vibrational spectra: Direct parameterization against experiment". J. Chem. Phys., 138, 134116 (2013).

    29. 2012

  29. Acharya, Khem; Zazubovich, Valter; Reppert, Mike; Jankowiak, Ryszard; "Primary Electron Donor(s) in Isolated Reaction Center of Photosystem II from Chlamydomonas reinhardtii". J. Phys. Chem. B, 116, 4860-4870 (2012).
  30. Baiz, Carlos R.; Peng, Chunte Sam; Reppert, Mike E.; Jones, Kevin C.; Tokmakoff, Andrei; "Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution". Analyst, 137, 1793-1799 (2012).
  31. Lessing, Joshua; Roy, Santanu; Reppert, Mike; Baer, Marcel; Marx, Dominik; Jansen, Thomas La Cour; Knoester, Jasper; Tokmakoff, Andrei; "Identifying Residual Structure in Intrinsically Disordered Systems: A 2D IR Spectroscopic Study of the GVGXPGVG Peptide". J. Am. Chem. Soc., 134, 5032-5035 (2012).
  32. Neupane, Bhanu; Jaschke, Paul; Saer, Rafael; Beatty, J. Thomas; Reppert, Mike; Jankowiak, Ryszard; "Electron Transfer in Rhodobacter sphaeroides Reaction Centers Containing Zn-Bacteriochlorophylls: A Hole-Burning Study". J. Phys. Chem. B, 116, 3457-3466 (2012).

    33. 2011

  33. Reppert, Mike; "Modeling of Resonant Hole-Burning Spectra in Excitonically Coupled Systems: The Effects of Energy-Transfer Broadening". J. Phys. Chem. Lett., 2, 2716-2721 (2011).
  34. Jankowiak, Ryszard; Reppert, Mike; Zazubovich, Valter; Pieper, Jorg; Reinot, Tonu; "Site Selective and Single Complex Laser-Based Spectroscopies: A Window on Excited State Electronic Structure, Excitation Energy Transfer, and Electron-Phonon Coupling of Selected Photosynthetic Complexes". Chem. Rev., 111, 4546-4598 (2011).

    35. 2010

  35. Reppert, Mike; Naibo, Virginia; Jankowiak, Ryszard; "Modeling study of non-line-narrowed hole-burned spectra in weakly coupled dimers and multi-chromophoric molecular assemblies". Chem. Phys., 367, 27-35 (2010).
  36. Neupane, Bhanu; Dang, Nhan C.; Acharya, Khem; Reppert, Mike; Zazubovich, Valter; Picorel, Rafael; Seibert, Michael; Jankowiak, Ryszard; "Insight into the Electronic Structure of the CP47 Antenna Protein Complex of Photosystem II: Hole Burning and Fluorescence Study". J. Am. Chem. Soc., 132, 4214-4229 (2010).
  37. Reppert, Mike; Acharya, Khem; Neupane, Bhanu; Jankowiak, Ryszard; "Lowest Electronic States of the CP47 Antenna Protein Complex of Photosystem II: Simulation of Optical Spectra and Revised Structural Assignments". J. Phys. Chem. B, 114, 11884-11898 (2010).
  38. Reppert, Mike; Naibo, Virginia; Jankowiak, Ryszard; "Accurate modeling of fluorescence line narrowing difference spectra: Direct measurement of the single-site fluorescence spectrum". J. Chem. Phys., 133, 014506 (2010).
  39. Acharya, K.; Neupane, B.; Reppert, M.; Feng, X.; Jankowiak, R.; "On the Unusual Temperature-Dependent Emission of the CP47 Antenna Protein Complex of Photosystem II". J. Phys. Chem. Lett., 1, 2310-2315 (2010).

    40. 2009

  40. Reppert, Mike; Naibo, Virginia; Jankowiak, Ryszard; "Analytical formulas for low-fluence non-line-narrowed hole-burned spectra in an excitonically coupled dimer". J. Chem. Phys., 131, 234104 (2009).

    41. 2008

  41. Reppert, Mike; Zazubovich, Valter; Dang, Nhan C.; Seibert, Michael; Jankowiak, Ryszard; "Low-Energy Chlorophyll States in the CP43 Antenna Protein Complex: Simulation of Various Optical Spectra. II". J. Phys. Chem. B, 112, 9934-9947 (2008).
  42. Dang, Nhan C.; Zazubovich, Valter; Reppert, Mike; Neupane, Bhanu; Picorel, Rafael; Seibert, Michael; Jankowiak, Ryszard; "The CP43 Proximal Antenna Complex of Higher Plant Photosystem II Revisited: Modeling and Hole Burning Study. I". J. Phys. Chem. B, 112, 9921-9933 (2008).

    43. 2007

  43. Dang, N. C.; Reinot, T.; Reppert, M.; Jankowiak, R.; "Temperature Dependence of Hole Growth Kinetics in Aluminum-Phthalocyanine-Tetrasulfonate in Hyperquenched Glassy Water". J. Phys. Chem. B, 111, 1582-1589 (2007).
  44. Miksa, Beata; Chinnappan, Raja; Dang, Nhan C.; Reppert, Mike; Matter, Brock; Tretyakova, Natalia; Grubor, Nenad M.; Jankowiak, Ryszard; "Spectral Differentiation and Immunoaffinity Capillary Electrophoresis Separation of Enantiomeric Benzo(a)pyrene Diol Epoxide-Derived DNA Adducts". Chem. Res. Toxicol., 20, 1192-1199 (2007).