Publications

Author/Title Research Type Related Fields
Buckle EL, Sampath J, Michael N, Whedon SD, Leonen CJA, Pfaendtner J, Drobny GP, Chatterjee C. Chembiochem. 2020, 21(22), 3208-3211.  Publications Biophysics, Chemical Biology, Materials, Organic Chemistry
Dhall A, Shelton PMM, Delachat AM, Leonen CJA, Fierz B, Chatterjee C. Biochemistry. 2020, 59(27), 2479-2483. Publications Chemical Biology
Jacob Finney, Ryan J. DiRisio, and Anne B. McCoy, “ Guided Diffusion Monte Carlo: A Method for Studying Ions tat Display Large Amplitude Vibrational Motions,” J. Phys. Chem. A, 124 9567-9577 (2020). Publications, Articles Physical Chemistry, Theory and Computation
Xu, L. T.; Cooper, D. L.; Dunning, T. H., Jr. Resolving a Puzzling Anomaly in the Spin-Coupled Generalized Valence Bond Description of Benzene. J. Comput. Chem. 2020, 41, 1421-1426. Publications, Articles Theory and Computation
Xu, L. T.; Dunning, T. H., Jr. Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene. J. Phys. Chem. A 2020, 124, 204-214. Publications, Articles Theory and Computation
Xu, L. T.; Dunning, T. H., Jr. The Nature of the Chemical Bond and the Role of non-Dynamical and Dynamical Correlation in Be2. J. Chem. Phys. 2020, 152, 214111. Publications, Articles Theory and Computation
Caitlin E. Cornell, Alexander Mileant, Niket Thakkar, Kelly K. Lee, and Sarah L. Keller, 2020, Direct Imaging of Liquid Domains in Membranes by Cryo Electron Tomography, Proc. Nat. Acad. Sci., 117:19713-19719. Publications, Articles Biophysics, Physical Chemistry
Canarie, E. R.; Jahn, S.; Stoll, S. Quantitative Structure-Based Prediction of Electron Spin Decoherence in Organic Radicals. J. Phys. Chem. Lett. 2020, 11, 3396–3400 Publications, Articles Physical Chemistry, Theory and Computation
Sweger, S. R.; Pribitzer, S.; Stoll, S. Bayesian Probabilistic Analysis of DEER Spectroscopy Data Using Parametric Distance Distribution Models. J. Phys. Chem. A 2020, 124, 6193–6202 Publications, Articles Biophysics, Physical Chemistry, Theory and Computation
Evans, E. G. B.; Morgan, J. L. W.; DiMaio, F.; Zagotta, W. N.; Stoll, S. Allosteric conformational change of a cyclic nucleotide-gated ion channel revealed by DEER spectroscopy. Proc. Natl. Acad. Sci. U.S.A. 2020, 117, 10839–10847 Publications, Articles Biophysics, Physical Chemistry
Mao, C.; Lee, M. Y.; Jhan, J.-R.; Halpern, A. R.; Woodworth, M. A.; Glaser, A. K.; Chozinski, T. J.; Shin, L.; Pippin, J.W.; Shankland, S.J.; Liu, J. T. C.; Vaughan, J. C. Feature-Rich Covalent Stains for Super-Resolution and Cleared-Tissue Fluorescence Microscopy. Sci. Adv. 2020, 6, eaba4542. Publications, Articles Analytical Chemistry, Biophysics, Chemical Biology
Fox, Z. W.; Blair, T. J.; Khalil, M.  Determining the Orientation and Vibronic Couplings between Electronic and Vibrational Coordinates with Polarization-Selective Two-Dimensional Vibrational-Electronic Spectroscopy. J. Phys. Chem. Lett. 2020, 11 (4), 1558-1563. Publications, Articles Physical Chemistry
Potter, Z. E.; Lau, H-T; Chakraborty, S.; Fang, L.; Guttman, M.; Ong, S-E.; Fowler, D. M.; Maly, D. J. “Parallel Chemoselective Profiling for Mapping Protein Structure” Cell Chem. Biol. (2020), 27, 1084-1096. Publications, Articles Chemical Biology
J. Sampath2, A. Kullman1, R. Gebhart, G. Drobny, J. Pfaendtner, “Molecular recognition and specificity of biomolecules to titanium dioxide from molecular dynamics simulations,” npj Comput. Mater. 2020, 6(34), DOI: 10.1038/s41524-020-0288-7 Publications, Articles Physical Chemistry, Theory and Computation
Blakely, M. N.; Dedushko, M.; Poon, P. C. Y.; Villar-Acevedo, G.; *Kovacs, J. A. “Formation of a Reactive, Alkyl Thiolate-Ligated FeIII-Superoxo Intermediate Derived from Dioxygen.” J. Am. Chem. Soc. 2019, 141, 1867-1870 Publications, Articles Chemical Biology, Inorganic Chemistry
Dedushko, M.; Schweitzer, D.; Blakely, M. N.; Swartz, R. D.; Kaminsky, W.; *Kovacs, J. A. “Geometric and Electronic Structure of a Crystallographically Characterized Thiolate-Ligated Binuclear Peroxo-Bridged Cobalt(III) Complex” J. Biol. Inorg. Chem. 2019, 24, 919-926 Publications, Articles Clean Energy, Inorganic Chemistry
Poon, P. C. Y.; Dedushko, M. A.; Sun, X.; Yang, G.; Toledo, S.; Hayes, E. C.; Johansen, A. L.; Piquette, M. C.; Rees, J. A.; Stoll, S.; *Rybak-Akimova, E.; *Kovacs, J. A. “How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.” J. Am. Chem. Soc. 2019, 141, 15046-15057 Publications, Articles Clean Energy, Inorganic Chemistry
Hsu PL, Shi H, Leonen C, Kang J, Chatterjee C, Zheng N. Mol Cell. 2019, 76(5), 712-723. Publications Biophysics, Chemical Biology
Nan Yang, Chinh H. Duong, Patrick J. Kelleher, Anne B. McCoy and Mark A. Johnson, “Deconstructing water’s diffuse OH stretching vibrational spectrum with cold clusters,” Science, 364, 275-278 (2019). Publications, Articles Physical Chemistry, Theory and Computation
Scott A. Chambers and Peter V. Sushko, “Probing Energy Landscapes in Multilayer Heterostructures: Challenges and Opportunities”, APL Mater. 7, 110904 (2019). https://doi.org/10.1063/1.5129155. Publications, Articles Materials
Xu, L. T.; Thompson, J. V. K.; Dunning, T. H., Jr. Spin-Coupled Generalized Valence Bond Description of the Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XHn (n = 1–4). J. Phys. Chem. A 2019, 123, 2401-2419. Publications, Articles Theory and Computation
Caitlin E. Cornell, Roy A. Black, Mengjun Xue, Helen E. Litz, Andrew Ramsay, Moshe Gordon, Alexander Mileant, Zachary R. Cohen, James A. Williams, Kelly K. Lee, Gary P. Drobny, and Sarah L. Keller, 2019, Prebiotic amino acids bind to and stabilize prebiotic fatty acid membranes, Proc. Nat. Acad. Sci. 116:17239-17244. Publications, Articles Biophysics, Physical Chemistry
Foight, G. W.; Wang, Z.; Wei, C. T.; Greisen, P. J.; Warner, K.; Cunningham-Bryant, D.; Park, K.; Brunette, T. J.; Sheffler, W.; Baker, D.; Maly, D. J. “Multi-input chemical control of protein dimerization for programming graded cellular responses” Nat. Biotech. (2019), 37, 1209-16. Publications, Articles Chemical Biology
Fang, L.; Chakraborty, S.; Dieter, E. M.; Potter, Z. E.; Lombard, C. K.; Maly, D. J. “A Chemoproteomic Method for Profiling Inhibitor-Bound Kinase Complexes” J. Am Chem. Soc. (2019), 141, 11912-11922. Publications, Articles Chemical Biology
Caitlin E. Cornell, Allison D. Skinkle, Shushan He, Ilya Levental, Kandice R. Levental, and Sarah L. Keller, 2018, Tuning length scales of small domains in cell-derived membranes and synthetic model membranes, Biophys. J., 115:690-701. Publications, Articles Biophysics, Physical Chemistry