Recent Publications


Publications by faculty, post-doctoral associates, students, and staff of Biochemistry and Molecular Biophysics.

More can be found in the Archives.


  • Sukrit Singh and Gregory R. Bowman
    Quantifying allosteric communication via both concerted structural changes and conformational disorder with CARDS
    J. Chem. Theory Comput. (2017) (Abstract)

  • Ballante F., Reddy D.R., Zhou N.J., and Marshall G.R.
    Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.
    Bioorg Med Chem. (2017) (Abstract)

  • Vasilios Kalas, Jerome S. Pinkner, Thomas J. Hannan, Michael E. Hibbing, Karen W. Dodson, Alex S. Holehouse, Hao Zhang, Niraj H. Tolia, Michael L. Gross, Rohit V. Pappu, James Janetka and Scott J. Hultgren
    Evolutionary fine-tuning of conformational ensembles in FimH during host-pathogen interactions
    Science Advances Vol. 3, no. 2 (2017) (Abstract)

  • Galburt E.A. and Tomko E.J.
    Conformational selection and induced fit as a useful framework for molecular motor mechanisms.
    Biophys Chem. 223:11-16 (2017) (Abstract)

  • Chang Y.K., Srivastava Y., Hu C., Joyce A., Yang X., Zuo Z., Havranek J.J., Stormo G.D., and Jauch R.
    Quantitative profiling of selective Sox/POU pairing on hundreds of sequences in parallel by Coop-seq.
    Nucleic Acids Res. (2017) (Abstract)

  • Santiago-Tirado F.H., Onken M.D., Cooper J.A., Klein R.S., and Doering T.L.
    Trojan Horse Transit Contributes to Blood-Brain Barrier Crossing of a Eukaryotic Pathogen.
    MBio. (2017) (Abstract)

  • Melissa M. Budelier, Wayland W. L. Cheng, Lucie Bergdoll, Zi-Wei Chen, Jeff Abramson, Kathiresan Krishnan, Mingxing Qian, Douglas F. Covey, James W. Janetka, and Alex S. Evers
    Click Chemistry Reagent for Identification of Sites of Covalent Ligand Incorporation in Integral Membrane Proteins
    Analytical Chem. (2017) (Abstract)

  • Istvan E.S., Mallari J.P., Corey V.C., Dharia N.V., Marshall G.R., Winzeler E.A., and Goldberg D.E.
    Esterase mutation is a mechanism of resistance to antimalarial compounds.
    Nat Commun. (2017) (Abstract)

  • Reddy D.R., Ballante F., Zhou N.J., and Marshall G.R.
    Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors.
    Eur J Med Chem. (2016) (Abstract)

  • Galburt E.A. and Rammohan J.
    A Kinetic Signature for Parallel Pathways: Conformational Selection and Induced Fit. Links and Disconnects between Observed Relaxation Rates and Fractional Equilibrium Flux under Pseudo-First-Order Conditions.
    Biochemistry. 7014-7022. (2016) (Abstract)

  • Hayatshahi H.S., Roe D.R., Galindo-Murillo R., Hall K.B., and Cheatham T.E.
    Computational Assessment of Potassium and Magnesium Ion Binding to a Buried Pocket in the GTPase-Associating Center RNA.
    J Phys Chem B. (2016) (Abstract)

  • Garner A.L., Rammohan J., Huynh J.P., Onder L.M., Chen J., Bae B., Jensen D., Weiss L.A., Ruiz Manzano A., Darst S.A., Campbell E.A., Nickels B.E., Galburt E.A., and Stallings C.L.
    Effects of Increasing the Affinity of CarD for RNA Polymerase on Mycobacterium tuberculosis Growth, rRNA Transcription, and Virulence.
    J Bacteriol. (2016) (Abstract)

  • Shen G., Cui W., Zhang H., Zhou F., Huang W., Liu Q., Yang Y., Li S., Bowman G.R., Sadler J.E., Gross M.L., and Li W.
    Warfarin traps human vitamin K epoxide reductase in an intermediate state during electron transfer.
    Nature Structural & Molecular Biology 24, 69–76 (2017). (Abstract)
    Featured in News and Views, Nature Structural & Molecular Biology 24, 5–6 (2017).

  • Kochenova O.V., Bezalel-Buch R., Tran P., Makarova A.V., Chabes A., Burgers P.M., and Shcherbakova P.V.
    Yeast DNA polymerase ζ maintains consistent activity and mutagenicity across a wide range of physiological dNTP concentrations.
    Nucleic Acids Res. (2016) (Abstract)

  • Greenberg M.J., Shuman H., and Ostap E.M.
    Measuring the Kinetic and Mechanical Properties of Non-processive Myosins Using Optical Tweezers.
    Methods Mol Biol. 1486:483-509. (2017)

  • Chris A. Brosey, Chris Ho, Winnie Z. Long, Sukrit Singh, Kathryn Burnett, Greg L. Hura, Jay C. Nix, Gregory R. Bowman, Tom Ellenberger, and John A. Tainer
    Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor
    Structure (2016) (Abstract)

  • Needham S.R., Roberts S.K., Arkhipov A., Mysore V.P., Tynan C.J., Zanetti-Domingues L.C., Kim E.T., Losasso V., Korovesis D., Hirsch M., Rolfe D.J., Clarke D.T., Winn M.D., Lajevardipour A., Clayton A.H., Pike L.J., Perani M., Parker P.J., Shan Y., Shaw D.E., and Martin-Fernandez M.L.
    EGFR oligomerization organizes kinase-active dimers into competent signalling platforms.
    Nat Commun. 7:13307 (2016) (Abstract)

  • Michael Kinch
    A Prescription for Change: The Looming Crisis in Drug Development
    (ISBN 9781469630625)

  • Mydock-McGrane L., Cusumano Z., Han Z., Binkley J., Kostakioti M., Hannan T., Pinkner J.S., Klein R., Kalas V., Crowley J., Rath N.P., Hultgren S.J., and Janetka J.W.
    Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections
    J Med Chem. (2016) (Abstract)

  • Kraft T.E., Heitmeier M.R., Putanko M., Edwards R.L., Ilagan M.X., Payne M.A., Autry J.M., Thomas D.D., Odom A.R., and Hruz P.W.
    A novel FRET-based screen in high-throughput format to identify inhibitors of malarial and human glucose transporters.
    Antimicrob Agents Chemother. AAC.00218-16. (2016) (Abstract)

  • Kathryn M. Hart, Chris M. W. Ho, Supratik Dutta, Michael L. Gross & Gregory R. Bowman
    Modelling proteins’ hidden conformations to predict antibiotic resistance
    Nature Communications 7, Article number: 12965 (2016) (Abstract)

  • Mydock-McGrane L., Cusumano Z., Han Z., Binkley J., Kostakioti M., Hannan T., Pinkner J.S., Klein R.D., Kalas V., Crowley J., Rath N.P., Hultgren S.J., and Janetka J.W.
    Anti-virulence C-mannoisdes as antibiotic-sparing, oral therapeutics for urinary tract infections.
    J. Med. Chem. (2016) (Abstract)

  • Welty R. and Hall K.B.
    Nucleobases Undergo Dynamic Rearrangements during RNA Tertiary Folding.
    J Mol Biol. 428(22):4490-4502 (2016) (Abstract)

  • Thomas J.J., Abed M., Heuberger J., Novak R., Zohar Y., Beltran Lopez A.P., Trausch-Azar J.S., Ilagan M.X., Benhamou D., Dittmar G., Kopan R., Birchmeier W., Schwartz A.L., and Orian A.
    RNF4-Dependent Oncogene Activation by Protein Stabilization.
    Cell Rep. 16(12):3388-400. (2016) (Abstract)

  • Pascolutti, R., Sun, X., Kao, J., Maute, R., Ring, A.M., Bowman, G.R. and Kruse, A.C.
    Structure and Dynamics of PD-L1 and an Ultra High-Affinity PD-1 Receptor Mutant.
    Structure (e-pub ahead of print) (2016)


More can be found in the Archives.