Publications

* corresponding author

Articles

Zhang X, Shen X, Dong J, Liu WC, Song M, Sun Y, Shu H, Towse CL, Liu W, Liu CF, Jin X. Inhibition of Reactive Astrocytes with Fluorocitrate Ameliorates Learning and Memory Impairment Through Upregulating CRTC1 and Synaptophysin in Ischemic Stroke Rats. Cell Mol Neurobiol. 2019 Nov;39(8):1151-1163. doi: 10.1007/s10571-019-00709-0. Epub 2019 Jul 3.PMID: 31270712

Childers MC, Towse CL, Daggett V. Molecular dynamics-derived rotamer libraries for d-amino acids within homochiral and heterochiral polypeptides. Protein Eng Des Sel. 2018 Jun 1;31(6):191-204. doi: 10.1093/protein/gzy016.PMID: 29992252

Towse CL, Akke M, Daggett V. The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space. J Phys Chem B. 2017 Apr 19. doi: 10.1021/acs.jpcb.7b00577. PubMed PMID: 28375008.

Childers MC, Towse CL, Daggett V. The effect of chirality and steric hindrance on intrinsic backbone conformational propensities: tools for protein design. Protein Eng Des Sel. 2016 Jul;29(7):271-80. doi: 10.1093/protein/gzw023. PubMed PMID: 27284086; PubMed Central PMCID: PMC4917059.

Towse CL, Vymetal J, Vondrasek J, Daggett V. Insights into Unfolded Proteins from the Intrinsic ϕ/ψ Propensities of the AAXAA Host-Guest Series. Biophys J. 2016 Jan 19;110(2):348-61. doi: 10.1016/j.bpj.2015.12.008. PubMed PMID: 26789758.

Towse CL, Rysavy SJ, Vulovic IM, Daggett V. New Dynamic Rotamer Libraries: Data-Driven Analysis of Side-Chain Conformational Propensities. Structure. 2016 Jan 5;24(1):187-99. doi: 10.1016/j.str.2015.10.017. PubMed PMID: 26745530.

Towse C, Daggett V. Simulating Protein Folding Pathways. Reviews in Computational Chemistry. 2015 May; 28.

Towse CL, Hopping G, Vulovic I, Daggett V. Nature versus design: the conformational propensities of D-amino acids and the importance of side chain chirality. Protein Eng Des Sel. 2014 Nov;27(11):447-55. doi: 10.1093/protein/gzu037. PubMed PMID: 25233851.

Towse CL, Daggett V. When a domain is not a domain, and why it is important to properly filter proteins in databases: conflicting definitions and fold classification systems for structural domains make filtering of such databases imperative. Bioessays. 2012 Dec;34(12):1060-9. doi: 10.1002/bies.201200116. PubMed PMID: 23108912.

Chen P, Evans CL, Hirst JD, Searle MS. Structural insights into the two sequential folding transition states of the PB1 domain of NBR1 from Φ value analysis and biased molecular dynamics simulations. Biochemistry. 2011 Jan 11;50(1):125-35. PubMed PMID: 21121670.

Evans CL, Long JE, Gallagher TR, Hirst JD, Searle MS. Conformation and dynamics of the three-helix bundle UBA domain of p62 from experiment and simulation. Proteins. 2008 Apr;71(1):227-40. PubMed PMID: 17932931.

Evans CL, Morris GA, Davis AL. A new method for variable temperature gradient shimming. J Magn Reson. 2002 Feb;154(2):325-8. PubMed PMID: 11846591.

Books and Chapters

Towse CL.*, Daggett V. (2018) Protein Folding: Molecular Dynamics Simulations. In: Roberts G., Watts A., European Biophysical Societies (eds) Encyclopedia of Biophysics. Springer, Berlin, Heidelberg

Towse C, Daggett V. Encyclopedia of Biophysics. Heidelberg: Springer Verlag; 2012. Molecular Dynamics Simulation