Clare McCabe

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Fungi and bacteria secrete glycoprotein cocktails to deconstruct cellulose. Cellulose-degrading enzymes (cellulases) are often modular, with catalytic domains for cellulose hydrolysis and carbohydrate-binding modules connected by linkers rich in serine and threonine with O-glycosylation. Few studies have probed the role that the linker and O-glycans play in(More)
Carbohydrate-binding modules (CBMs) are ubiquitous components of glycoside hydrolases, which degrade polysaccharides in nature. CBMs target specific polysaccharides, and CBM binding affinity to cellulose is known to be proportional to cellulase activity, such that increasing binding affinity is an important component of performance improvement. To ascertain(More)
Detailed atomistic computer simulations are now widely used to study biological membranes, including increasingly mixed lipid systems that involve, for example, cholesterol, which is a key membrane lipid. Typically, simulations of these systems start from a preassembled bilayer because the timescale on which self-assembly occurs in mixed lipid systems is(More)
Computer simulations of double-walled carbon nanotubes show that if the inner nanotube is pulled out part of the way and then released, then the inner tube exhibits damped oscillatory behavior at gigahertz frequencies. A simple mathematical model, formulated in terms of macroscopic ideas of friction, is shown to predict the observed behavior to a high(More)
Fatty acids constitute one of the main components of the lipid lamellae in the top layer of the skin, known as the stratum corneum, which acts as a barrier to foreign substances entering the body and to water leaving the body. To better understand the mechanics of the skin, a molecular-level understanding of the structure of the lamellae needs to be(More)
0009-2614/$ see front matter 2008 Elsevier B.V. A doi:10.1016/j.cplett.2008.05.060 * Corresponding author. Fax: +1 615 343 7951. E-mail address: c.mccabe@vanderbilt.edu (C. McCa We present free energy calculations for the Trichoderma reesei Cel7A (cellobiohydrolase I) linker peptide from molecular dynamics simulations directed towards understanding the(More)
The mechanical properties of sliding carbon nanotubes have been investigated by classical molecular dynamics simulations in the canonical ensemble. In particular we have studied damped oscillations in the separation between the centres of mass of the inner and outer tubes of double-walled carbon nanotubes (DWCN). Incommensurate DWCNs forming (7, 0)@(9, 9)(More)
As part of a systematic study of the thermophysical properties of two important classes of fluorinated organic compounds (perfluoroalkanes and perfluoroalkylalkanes), viscosity measurements of four n-perfluoroalkanes and five perfluoroalkylalkanes have been carried out at atmospheric pressure and over a wide range of temperatures (278-353 K). From the(More)
We present the first 3.8μm image of the dusty ring surrounding the young binary system GGTau, obtained with the W. M. Keck II 10m telescope’s adaptive optics system. This is the longest wavelength at which the ring has been detected in scattered light so far, allowing a multi-wavelength analysis of the scattering properties of the dust grains present in(More)