Publications

Cui Q* and McCully ME.* Editorial overview: Theory and simulation: Molecular modeling from atoms to complexes. Curr Opin Struct Biol 73:102347, 2022. [DOI]

Gonzalez NA, Li BA, McCully ME. The stability and dynamics of computationally designed proteins. Prot Eng Des Sel 35:gzac001, 2022. [DOI]

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Nguyen C,* Yearwood LM,* McCully ME. Thermostabilization mechanisms in thermophilic versus mesophilic three-helix bundle proteins. J Comput Chem 43:197-205, 2022. [DOI]

Ferreira PHB, Freitas FC, McCully ME, Slade GG, Oliveira RJ. The Role of Electrostatics and Folding Kinetics on the Thermostability of Homologous Cold Shock Proteins. J Chem Inf Model 60:546-561, 2020. [DOI]

Gill M and McCully ME. Molecular dynamics simulations suggest stabilizing mutations in a de novo designed α/β protein. Prot Eng Des Sel 32:317–329, 2019. [DOI]

Nguyen C,* Young JT,* Slade GG, Oliveira RJ, McCully ME. A dynamic hydrophobic core and surface salt bridges thermostabilize a designed three-helix bundle. Biophys J 116: 621-632, 2019. [DOI]

Gianni S, McCully ME, Malagrinó F, Bonetti D, De Simone A, Brunori M, Daggett V. A carboxylate to amide substitution tunes fold switching in a protein domain. Angew Chem Int Ed 57:12795-12798, 2018. [DOI]

* Authors contributed equally to this work

SCU undergraduate research student

Wang D, McCully ME, Luo Z, McMichael J, Tu AY, Daggett V, Regnier M. Structural and Functional Consequences of Cardiac Troponin C L57Q and I61Q Ca²⁺-Desensitizing Variants. Arch Biochem Biophys 535:68-75, 2013. [DOI]

McCully ME, Beck DAC, Daggett V. Promiscuous contacts and heightened dynamics increase thermostability in an engineered variant of the engrailed homeodomain. Prot Eng Des Sel 26:35-45, 2013. [DOI]

McCully ME, Beck DAC, Daggett V. Multimolecule test-tube simulations of protein unfolding and aggregation. Proc Natl Acad Sci USA 109:17851-17856, 2012. [DOI]

• • • Recommended by Faculty of 1000

McCully ME and Daggett V. Folding and Dynamics of Engineered Proteins. In Protein Engineering Handbook, vol. III. Eds. Lutz S and Bornscheuer UT. Wiley-VCH, Weinheim. pp. 89-114, 2012. [Book Website] [Google Books] (Manuscript available upon request)

Wang D, Robertson I, Li M, McCully ME, Crane ML, Luo Z, Tu AY, Daggett V, Sykes B, Regnier M. Structural and functional consequences of the cardiac troponin C L48Q Ca²⁺-sensitizing mutation. Biochemistry 51:4473-4487, 2012. [DOI]

Beck DAC, McCully ME, Alonso DOV, Daggett V. (2000-2021) in lucem molecular mechanics (ilmm), University of Washington, Seattle.

Morrone A, McCully ME, Bryan PN, Brunori M, Daggett V, Gianni S, Travaglini-Allocatelli C. The denatured state dictates the topology of two proteins with almost identical sequence but different native structure and function. J Biol Chem 286:3863-3872, 2011. [DOI]

McCully ME, Beck DAC, Fersht AR, Daggett V. Refolding the Engrailed Homeodomain: Structural basis for the accumulation of a folding intermediate. Biophys J 99:1628-1636, 2010. [DOI].

Bean GJ, Flickinger ST, Westler W, McCully ME, Sept D, Weibel DB, Amann KJ. A22 disrupts the bacterial actin cytoskeleton by directly binding and inducing a low-affinity state in MreB Biochemistry 48:4852-4857, 2009. [DOI]

McCully ME, Beck DAC, Daggett V. Microscopic reversibility of protein folding in molecular dynamics simulations of the engrailed homeodomain. Biochemistry 47:7079-7089, 2008. [DOI]

Kim K*, McCully ME*, Bhattacharya N, Butler B, Sept D, Cooper JA. Structure/function analysis of the interaction of phosphatidylinositol 4,5-bisphosphate with actin-capping protein: implications for how capping protein binds the actin filament. J Biol Chem 282:5871-5879, 2007. [DOI]

* Authors contributed equally to this work

Michelle McCully on Google Scholar | PubMed