87. Zhang, C.; Nizal, H.; Hennecker, C.; Mittermaier, A. Effects of flanking regions on DNA i-motif folding and stability.听Nucleic Acids Research聽2025,听53听(16).
86. Wang, G.; Venegas, F.; Rueda, A.; Ya帽ez, O.; Osorio, M. I.; Qin, S.; P茅rez-Donoso, J. M.; Thibodeaux, C. J.; Moitessier, N.; Mittermaier, A. K. Inhibitor-induced dimerization mediates lufotrelvir resistance in mutants of SARS-CoV-2 3C-like protease. Protein Science 2025, 34 (9), e70275.听
85.聽Hennecker, C., Venegas, F., Wang, G., Stille, J., Milaczewska, A., Moitessier, N., & Mittermaier, A. (2025). Mechanistic Characterization of Covalent Enzyme Inhibition by Isothermal Titration Calorimetry Kinetic Competition (ITC-KC).听Analytical Chemistry,听97(12), 6368鈥�6381.
84.聽Alanagh, H. R., S谩nchez-S谩nchez, M. G., Wozny, M. R., Habibi, Y., Jarade, C., Sprules, T., Mittermaier, A. K., Hendricks, A. G., & Harrington, M. J. (2025). pH-sulfate synergy regulates processing and mechanics of mussel byssus protein condensates.听Chemistry of Materials,听37(3), 925鈥�938.
83.聽Rivera, M., Ayon, O. S., Diaconescu-Grabari, S., Pottel, J., Moitessier, N., Mittermaier, A., & McKeague, M. (2024). A sensitive and scalable fluorescence anisotropy single stranded RNA targeting approach for monitoring riboswitch conformational states.听Nucleic Acids Research,听52(6), 3164鈥�3179.
82.聽Wang, G., Venegas, F. A., Rueda, A. M., Weerasinghe, N. W., Uggowitzer, K. A., Thibodeaux, C. J., Moitessier, N., & Mittermaier, A. K. (2024). A naturally occurring G11S mutation in the 3C鈥恖ike protease from the SARS鈥怌oV鈥�2 virus dramatically weakens the dimer interface.听Protein Science,听33(1), e4857.
81.聽Wang, G., Moitessier, N., & Mittermaier, A. K. (2023). Computational and biophysical methods for the discovery and optimization of covalent drugs.听Chemical Communications,听59(73), 10866鈥�10882.
80.聽Stille, J. K., Tjutrins, J., Wang, G., Venegas, F. A., Hennecker, C., Rueda, A. M., ... & Moitessier, N. (2022). Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors.听European Journal of Medicinal Chemistry,听229, 114046.
79.聽Plescia, J., H茅dou, D., Pousse, M. E., Labarre, A., Dufresne, C., Mittermaier, A., & Moitessier, N. (2022). Modulating the selectivity of inhibitors for prolyl oligopeptidase inhibitors and fibroblast activation protein-伪 for different indications.听European Journal of Medicinal Chemistry,听240, 114543.
78.聽Hennecker, C. D., Lachance-Brais, C., Sleiman, H., & Mittermaier, A. (2022). Using transient equilibria (TREQ) to measure the thermodynamics of slowly assembling supramolecular systems.听Science Advances,听8(14), eabm8455.
77.聽Lachance-Brais, C., Hennecker, C. D., Alenaizan, A., Luo, X., Toader, V., Taing, M., Sherrill, C. D., Mittermaier, A. K., & Sleiman, H. F. (2021). Tuning DNA supramolecular polymers by the addition of small, functionalized nucleobase mimics.听Journal of the American Chemical Society,听143(47), 19824鈥�19833.
76.聽Falconer, R. J., Schuur, B., & Mittermaier, A. K. (2021). Applications of isothermal titration calorimetry in pure and applied research from 2016 to 2020.听Journal of Molecular Recognition,听34(10), e2901.
75.聽Odette, W. L., Hennecker, C. D., Mittermaier, A. K., & Mauzeroll, J. (2021). EDTA-gradient loading of doxorubicin into ferrocene-containing liposomes: Effect of lipid composition and visualization of triggered release by cryo-TEM.听Langmuir,听37(38), 11222鈥�11232.
74.聽Wang, Y., & Mittermaier, A. K. (2021). Characterizing bi-substrate enzyme kinetics at high resolution by 2D-ITC.听Analytical Chemistry,听93(37), 12723鈥�12732.
73.聽Carrino, S., Hennecker, C. D., Murrieta, A. C., & Mittermaier, A. K. (2021). Frustrated folding of guanine quadruplexes in telomeric DNA.听Nucleic Acids Research,听49(6), 3063鈥�3076.
72.聽Harkness, R. W., Hennecker, C., Gr眉n, J. T., Bl眉mler, A., Heckel, A., Schwalbe, H., & Mittermaier, A. K. (2021). Parallel reaction pathways accelerate folding of a guanine quadruplex.听Nucleic Acids Research,听49(3), 1247鈥�1262.
71.聽Wang, Y., Wang, G., Moitessier, N., & Mittermaier, A. K. (2020). Enzyme kinetics by isothermal titration calorimetry: Allostery, inhibition, and dynamics.听Frontiers in Molecular Biosciences,听7, 583826.
70.聽Payliss, B., & Mittermaier, A. (2020). Determination of pKa values in intrinsically disordered proteins. In聽Methods in Molecular Biology (Vol. 2141),听Intrinsically Disordered Proteins: Methods and Protocols聽(pp. 319鈥�336).
69.聽Prinzen, A. L., Saliba, D., Hennecker, C., Trinh, T., Mittermaier, A., & Sleiman, H. F. (2020). Amplified self-immolative release of small molecules by spatial isolation of reactive groups on DNA-minimal architectures.听Angewandte Chemie International Edition,听59(31), 12900鈥�12908.
68.聽Vahidi, S., Ripstein, Z. A., Juravsky, J. B., Rennella, E., Goldberg, A. L., Mittermaier, A. K., Rubinstein, J. L., & Kay, L. E. (2020). An allosteric switch regulates聽Mycobacterium tuberculosis聽ClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.听Proceedings of the National Academy of Sciences,听117(11), 5895鈥�5906.
67.聽Gr眉n, J. T., Hennecker, C., Kl枚tzner, D. P., Harkness, R. W., Bessi, I., Heckel, A., Mittermaier, A. K., & Schwalbe, H. (2020). Conformational dynamics of strand register shifts in DNA G-quadruplexes.听Journal of the American Chemical Society,听142, 264鈥�273.
66.聽Plescia, J., Dufresne, C., Janmamode, N., Wahba, A. S., Mittermaier, A. K., & Moitessier, N. (2020). Discovery of covalent prolyl oligopeptidase boronic ester inhibitors.听European Journal of Medicinal Chemistry,听185, 111783.
65.聽Wang, Y., Guan, J. M., Di Trani, J. M., Auclair, K., & Mittermaier, A. K. (2019). Inhibition and activation of kinases by reaction products: A reporter-free assay.听Analytical Chemistry,听91, 11803鈥�11811.
64.聽Plescia, J., De Cesco, S., Patrascu, M. B., Kurian, J., Di Trani, J., Dufresne, C., Wahba, A. S., Janmamode, N., Mittermaier, A. K., & Moitessier, N. (2019). Integrated synthetic, biophysical, and computational investigations of covalent inhibitors of prolyl oligopeptidase and fibroblast activation protein alpha.听Journal of Medicinal Chemistry,听62, 7874鈥�7884.
63.聽Antunes, V. U., Llontop, E. E., Vasconcelos, F. N. D., de los Santos, Y. L., Oliveira, R. J., Lincopan, N., Farah, C. S., Doucet, N., Mittermaier, A., & Favaro, D. C. (2019). Importance of the 尾5鈥撐�6 loop for the structure, catalytic efficiency, and stability of carbapenem-hydrolyzing class D 尾-lactamase subfamily OXA-143.听Biochemistry,听58, 3604鈥�3616.
62.聽Payliss, B., Vogel, J., & Mittermaier, A. (2019). Side chain electrostatic interactions and pH-dependent expansion of the intrinsically disordered, highly acidic carboxyl-terminus of 纬-tubulin.听Protein Science,听28, 1095鈥�1105.
61.聽Di Trani, J., De Cesco, S., O'Leary, R., Plescia, J., Nascimento, C., Moitessier, N., & Mittermaier, A. (2018). Rapid measurement of inhibitor binding kinetics by isothermal titration calorimetry.听Nature Communications,听9, 893.
60.聽Harkness, R. W., Avakyan, N., Sleiman, H. F., & Mittermaier, A. (2018). Mapping the energy landscapes of supramolecular assembly by thermal hysteresis.听Nature Communications,听9, 3152.
59.聽Di Trani, J. M., Moitessier, N., & Mittermaier, A. K. (2018). Complete kinetic characterization of enzyme inhibition in a single isothermal titration calorimetric experiment.听Analytical Chemistry,听90, 8430鈥�8435.
58.聽El Turk, F., De Genst, E., Guilliams, T., Fauvet, B., Hejjaoui, M., Di Trani, J., Chiki, A., Mittermaier, A., Vendruscolo, M., Lashuel, H. A., & Dobson, C. M. (2018). Exploring the role of post-translational modifications in regulating 伪-synuclein interactions by studying the effects of phosphorylation on nanobody binding.听Protein Science,听27, 1262鈥�1274.
57.聽Harris, J., Shadrina, M., Oliver, C., Vogel, J., & Mittermaier, A. (2018). Concerted millisecond timescale dynamics in the intrinsically disordered carboxyl terminus of 纬-tubulin induced by mutation of a conserved tyrosine residue.听Protein Science,听27(2), 531鈥�545.
56.聽Garci, A., Castor, K. J., Fakhoury, J., Do, J. L., Di Trani, J., Chidchob, P., Stein, R. S., Mittermaier, A. K., Friscic, T., & Sleiman, H. (2018). Efficient and rapid mechanochemical assembly of platinum(II) squares for guanine quadruplex targeting.听Journal of the American Chemical Society,听139(46), 16913鈥�16922.
55.聽Harkness, R. W., Johnson, P. E., & Mittermaier, A. K. (2017). Measuring biomolecular DSC profiles with thermolabile ligands to rapidly characterize folding and binding interactions.听Journal of Visualized Experiments,听129, e55959.听
54.聽De Cesco, S., Kurian, J., Dufresne, C., Mittermaier, A. K., & Moitessier, N. (2017). Covalent inhibitors design and discovery.听European Journal of Medicinal Chemistry,听138, 96鈥�114.
53.聽Harkness, R. W., & Mittermaier, A. K. (2017). G-quadruplex dynamics.听Biochimica et Biophysica Acta (BBA) - General Subjects,听1865, 1544鈥�1554.
52.聽Di Trani, J. M., Moitessier, N., & Mittermaier, A. K. (2017). Measuring rapid time-scale reaction kinetics using isothermal titration calorimetry.听Analytical Chemistry,听89(13), 7022鈥�7030.
51.聽Assi, H. A., Harkness, R. W., Martin-Pintado, N., Wilds, C. J., Campos-Olivas, R., Mittermaier, A. K., Gonz谩lez, C., & Damha, M. J. (2016). Stabilization of i-motif structures by 2鈥参�-fluorination of DNA.听Nucleic Acids Research,听44(11), 4998鈥�5009.
50.聽El-Turk, F., Newby, F. N., De Genst, E., Guilliams, T., Sprules, T., Mittermaier, A., Dobson, C. M., & Vendruscolo, M. (2016). Structural effects of two camelid nanobodies directed to distinct C-terminal epitopes on 伪-synuclein.听Biochemistry,听55(22), 3116鈥�3122.
49.聽Harkness, R. W., & Mittermaier, A. (2016). G-register exchange dynamics in guanine quadruplexes.听Nucleic Acids Research,听44(8), 3481鈥�3494.
48.聽Harkness, R. W., Slavkovic, S., Johnson, P. E., & Mittermaier, A. K. (2016). Rapid characterization of folding and binding interactions with thermolabile ligands by DSC.听Chemical Communications,听52(92), 13471鈥�13474.
47.聽Chong, P. A., Farber, P. J., Vernon, R. M., Hudson, R. P., Mittermaier, A. K., & Forman-Kay, J. D. (2015). Deletion of phenylalanine-508 in the first nucleotide binding domain of the cystic fibrosis transmembrane conductance regulator increases conformational exchange and inhibits dimerization.听Journal of Biological Chemistry,听290, 22862鈥�22878.
46.聽Mariaule, G., De Cesco, S., Airaghi, F., Kurian, J., Schiavini, P., Rocheleau, S., Huski膰, I., Auclair, K., Mittermaier, A., & Moitessier, N. (2015). 3-Oxo-hexahydro-1H-isoindole-4-carboxylic acid as a drug chiral bicyclic scaffold: Structure-based design and preparation of conformationally constrained covalent and noncovalent prolyl oligopeptidase inhibitors.听Journal of Medicinal Chemistry,听59(9), 4221鈥�4234.
45.聽Miletti, T., Levros, L. C., Di Trani, J., & Mittermaier, A. (2015). Conformational plasticity surrounding the active site of NADH oxidase from聽Thermus thermophilus.听Protein Science,听24, 1114鈥�1128.
44.聽Farber, P. J., & Mittermaier, A. (2015). Relaxation dispersion NMR spectroscopy for the study of protein allostery.听Biophysical Reviews,听7, 191鈥�200.
43.聽Mittermaier, A. (2015). An enzyme cofactor with a split personality.听Nature Structural & Molecular Biology,听22, 101鈥�103.
42.聽Freiburger, L., Auclair, K., & Mittermaier, A. (2015). Global ITC fitting methods in studies of protein allostery.听Methods,听76, 149鈥�161.
41.聽Freiburger, L., Miletti, T., Zhu, S., Baettig, O., Berghuis, A., Auclair, K., & Mittermaier, A. (2014). Substrate-dependent switching of the allosteric binding mechanism of a dimeric enzyme.听Nature Chemical Biology,听10, 937鈥�942.
40.聽Meneses, E., & Mittermaier, A. (2014). Electrostatic interactions in the binding pathway of a transient protein complex studied by NMR and isothermal titration calorimetry.听Journal of Biological Chemistry,听289, 27911鈥�27923.
39.聽Castor, K., Liu, Z., Fakhoury, J., Hancock, M., Mittermaier, A., Autexier, C., Moitessier, N., & Sleiman, H. (2013). A platinum(II) phenylphenanthroimidazole with an extended side-chain exhibits slow dissociation from a c-kit G-quadruplex motif.听Chemistry 鈥� A European Journal,听19, 17836鈥�17845.
38.聽Mittermaier, A. (2013). ZZ-exchange. In G. Roberts (Ed.),听Encyclopedia of Biophysics. Springer-Verlag.
37.聽Mittermaier, A., & Meneses, E. (2013). Analyzing protein-ligand interactions by dynamic NMR spectroscopy. In M. Williams & T. Daviter (Eds.),听Methods in Molecular Biology/Springer Protocols聽(Vol. 1008, pp. 243鈥�266). Humana Press.
36.聽Farber, P. J., Slager, J., & Mittermaier, A. (2012). Local folding and misfolding in the PBX homeodomain from a three-state analysis of CPMG relaxation dispersion NMR data.听Journal of Physical Chemistry B,听116, 10317鈥�10329.
35.聽De Cesco, S., Deslandes, S., Therrien, E., Levan, D., Cueto, M., Schmidt, R., Cantin, L. D., Mittermaier, A., Juillerat-Jeanneret, L., & Moitessier, N. (2012). Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells.听Journal of Medicinal Chemistry,听55, 6306鈥�6315.
34.聽Castor, K., Kieltyka, R., Englebienne, P., Weill, N., Fakhoury, J., Mancini, J., Avakyan, N., Mittermaier, A., Autexier, C., Moitessier, N., & Sleiman, H. F. (2012). Platinum(II) phenanthroimidazoles for targeting telomeric G-quadruplexes.听ChemMedChem,听7, 85鈥�94.
33.聽Freiburger, L., Auclair, K., & Mittermaier, A. (2012). Van 鈥檛 Hoff global analyses of variable temperature isothermal titration calorimetry data.听Acta Thermochimica,听527, 148鈥�157.
32.聽Miletti, T., Farber, P. J., & Mittermaier, A. (2011). Active site dynamics in NADH oxidase from聽Thermus thermophilus聽studied by NMR spin relaxation.听Journal of Biomolecular NMR,听51, 71鈥�82.
31.聽Freiburger, L., Mittermaier, A., & Auclair, K. (2011). Collecting variable-concentration isothermal titration calorimetry datasets in order to determine binding mechanisms.听Journal of Visualized Experiments,听50, e2529.听
30.聽Farber, P. J., & Mittermaier, A. (2011). Concerted dynamics link allosteric sites in the PBX homeodomain.听Journal of Molecular Biology,听405, 819鈥�830.
29.聽Freiburger, L., Baettig, O. M., Berghuis, A. M., Sprules, T., Auclair, K., & Mittermaier, A. (2011). Competing allosteric mechanisms modulate substrate binding in a dimeric enzyme.听Nature Structural & Molecular Biology,听18, 288鈥�294.
28.聽Denisov, A., Kloser, E., Gray, D., & Mittermaier, A. (2010). Protein alignment using cellulose nanocrystals: Practical considerations and range of application.听Journal of Biomolecular NMR,听47, 195鈥�204.
27.聽Farber, P. J., Darmawan, H., Sprules, T., & Mittermaier, A. (2010). Analyzing protein folding cooperativity using NMR and DSC.听Journal of the American Chemical Society,听132, 6214鈥�6222.
26.聽Mittermaier, A., & Farber, P. J. (2010). NMR and calorimetry of biological systems. In S. Pascal & A. Dingely (Eds.),听Advances in BioNMR Spectroscopy. IOS Press.
25.聽Freiburger, L. A., Auclair, K., & Mittermaier, A. K. (2009). Elucidating protein binding mechanisms by variable-c ITC.听ChemBioChem,听10, 2871鈥�2873.
24.聽Mittermaier, A., & Kay, L. E. (2009). Observing biological dynamics at atomic resolution using NMR.听Trends in Biochemical Sciences,听34, 601鈥�611.
23.聽Demers, J. P., & Mittermaier, A. (2009). Binding mechanism of an SH3 domain studied by NMR and ITC.听Journal of the American Chemical Society,听131, 4355鈥�4367.
22.聽Farber, P. J., & Mittermaier, A. (2008). Side chain burial and hydrophobic core packing in protein folding transition states.听Protein Science,听17, 644鈥�651.
21.聽Mittermaier, A., & Kay, L. E. (2006). New tools provide new insights in NMR studies of protein dynamics.听Science,听312, 224鈥�228.
20.聽Zarrine-Afsar, A., Mittermaier, A., Kay, L. E., & Davidson, A. R. (2005). Protein stabilization by specific binding of guanidinium to a functional arginine-binding surface on an SH3 domain.听Protein Science,听15, 162鈥�170.
19.聽Mittermaier, A., Korzhnev, D. M., & Kay, L. E. (2005). Side-chain interactions in the folding pathway of a Fyn SH3 domain mutant studied by relaxation dispersion NMR spectroscopy.听Biochemistry,听44, 15430鈥�15436.
18.聽Korzhnev, D. M., Neudecker, P., Mittermaier, A., Orekhov, V. Y., & Kay, L. E. (2005). Multiple-site exchange in proteins studied with a suite of six NMR relaxation dispersion experiments: An application to the folding of a Fyn SH3 domain mutant.听Journal of the American Chemical Society,听127, 15602鈥�15611.
17.聽Korzhnev, D. M., Mittermaier, A., & Kay, L. E. (2005). Cross-correlated spin relaxation effects in methyl 鹿H CPMG-based relaxation dispersion experiments: Complications and simple solution.听Journal of Biomolecular NMR,听4, 337鈥�342.
16.聽Finerty, P. J. Jr., Mittermaier, A., Muhandiram, R., Kay, L. E., & Forman-Kay, J. D. (2005). NMR dynamics-derived insights into the binding properties of a peptide interacting with an SH2 domain.听Biochemistry,听44, 694鈥�703.
15.聽Mittermaier, A., & Kay, L. E. (2004). The response of internal dynamics to hydrophobic core mutations in the SH3 domain from the Fyn tyrosine kinase.听Protein Science,听13, 1088鈥�1099.
14.聽Mittermaier, A., Davidson, A. R., & Kay, L. E. (2003). Correlation between 虏H NMR side-chain order parameters and sequence conservation in globular proteins.听Journal of the American Chemical Society,听125, 9004鈥�9005.
13.聽Millet, O., Mittermaier, A., Baker, D., & Kay, L. E. (2003). The effects of mutations on motions of side-chains in Protein L studied by 虏H NMR dynamics and scalar couplings.听Journal of Molecular Biology,听329, 551鈥�563.
12.聽Mittermaier, A., & Kay, L. E. (2002). Effect of deuteration on some structural parameters of methyl groups in proteins as evaluated by residual dipolar couplings.听Journal of Biomolecular NMR,听23, 35鈥�45.
11.聽Mulder, F. A. A., Hon, B., Mittermaier, A., Dahlquist, F. W., & Kay, L. E. (2002). Slow internal dynamics in proteins: Application of NMR dispersion spectroscopy to methyl groups in a cavity mutant of T4 lysozyme.听Journal of the American Chemical Society,听124(7), 1443鈥�1451.
10.聽Davidson, A. R., Maxwell, K. L., Mittermaier, A. K., & Forman-Kay, J. D. (2002). Methods for in vivo selection of soluble protein domains. In M. P. Weiner & Q. Lu (Eds.),听Gene Cloning and Expression Technologies. Eaton Publishing.
9.聽Mulder, F. A. A., Mittermaier, A., Hon, B., Dahlquist, F. W., & Kay, L. E. (2001). Studying excited states of proteins by NMR spectroscopy.听Nature Structural Biology,听8(11), 932鈥�935.
8.聽Even盲s, J., Mittermaier, A., Yang, D., & Kay, L. E. (2001). Measurement of 鹿鲁C伪鈥撀孤矯尾 dipolar couplings in 鹿鈦礜, 鹿鲁C, 虏H-labeled proteins: Application to domain orientation in maltose binding protein.听Journal of the American Chemical Society,听123(12), 2858鈥�2864.
7.聽Mittermaier, A., & Kay, L. E. (2001). 蠂1 torsion angle dynamics in proteins from dipolar couplings.听Journal of the American Chemical Society,听123(28), 6892鈥�6903.
6.聽Mittermaier, A., & Kay, L. E. (1999). Measurement of methyl 虏H quadrupolar couplings in oriented proteins: How uniform is the quadrupolar coupling constant?聽Journal of the American Chemical Society,听121(45), 10608鈥�10613.
5.聽Mittermaier, A., Kay, L. E., & Forman-Kay, J. D. (1999). Analysis of deuterium relaxation-derived methyl axis order parameters and correlation with local structure.听Journal of Biomolecular NMR,听13, 181鈥�185.
4.聽Mittermaier, A., Varani, L., Muhandiram, D. R., Kay, L. E., & Varani, G. (1999). Changes in side chain and backbone dynamics identify determinants of specificity in RNA recognition by human U1A protein.听Journal of Molecular Biology,听294, 967鈥�979.
3.聽Maxwell, K. L., Mittermaier, A., Forman-Kay, J. D., & Davidson, A. R. (1999). A simple in vivo assay for increased protein solubility.听Protein Science,听8, 1908鈥�1911.
2.聽Yang, D., Mittermaier, A., Mok, Y. K., & Kay, L. E. (1998). A study of protein side chain dynamics from new 虏H auto-correlation and 鹿鲁C cross-correlation NMR experiments: Application to the N-terminal SH3 domain from drk.听Journal of Molecular Biology,听276, 939鈥�954.
1.聽Olive, J. E., De Abreu, D. M., Rastogi, T., Andersen, A., Mittermaier, A., Beattie, T., & Collins, R. A. (1995). Enhancement of聽Neurospora聽VS ribozyme cleavage by tuberactinomycin antibiotics.听The EMBO Journal,听14, 3247鈥�3251.