In this study, a set of 400 ps molecular dynamics simulations were conducted to determine the stabilizing effect of O-glycosylation on the secondary structural integrity of the design α-loop-α motif. In general, glycosylation stabilizes the structural integrity of the model peptide because it decreases the opportunity for the surrounding water molecules to compete for the intramolecular hydroge...

absolute prices 156 accounting for cross-country income differences 13 The Accumulation of Capital 137 Acemoglu, Daron 5, 13–15, 74, 84 Acemoglu–Zilibotti model 14 aggregate capital-output ratio 11, 12 aggregate demand function 142, 182 aggregate dynamic analysis 52–3 aggregate effective labour supply 9 aggregate growth 8–9 aggregate labour income share 11 aggregate output, and demand 269 aggre...

The article discusses the pedagogic advantages of structural analysis software based on nonlinear dynamic structural theory, in contrast to software most commonly used in architectural education which is based in linear static theory. Traditionally, structural education in both architecture and engineering has considered nonlinear dynamic theory to be an advanced-level tool, reserved for gradua...

Special Issue Online discussion group sustainability: Investigating the interplay between structural dynamics and social dynamics over time Catherine Ridings Lehigh University [email protected] Molly Wasko Florida State University [email protected] Online discussion groups have become an increasingly popular way to create social networks where individuals congregate electronically to share ad...

The realization that experimentally observed functional motions of proteins can be predicted by coarse-grained normal mode analysis (NMA) has renewed interest in applications to structural biology. Notable applications include the prediction of biologically relevant motions for proteins and supramolecular structures driven by their structure-encoded collective dynamics; the refinement of low-re...

The stability and elasto-mechanical properties of tetragonal and cagelike or clathrate nanowires of Si are investigated and compared using molecular dynamics simulations. Our results show that cagelike nanowires, while possessing lesser density, are able to maintain their structural integrity over a larger range of strain conditions than the tetrahedral nanowires, making them a better candidate...

This paper introduces a nonlinear reduced-order modelling methodology for finite-element models of structures with slender subcomponents and inertia represented by lumped masses along main load paths. The constructed models have dynamics described by 1-D intrinsic equations of motion, which are further written in modal co-ordinates. This yields finite-dimensional approximations of the system dy...

We report here the release of a web based tool (MDDNA) to study and model the fine structural details of DNA on the basis of data extracted from a set of molecular dynamics (MD) trajectories of DNA sequences involving all the unique tetranucleotides. The dynamic web interface can be employed to analyze the first neighbor sequence context effects on the 10 unique dinucleotide steps of DNA. Funct...

This paper presents an innovative approach to model validation for a structure with significant parameter variations. Model uncertainty of the structural dynamics is quantified with the use of a singular value decomposition technique to extract the principal components of parameter change, and an interval model is generated to represent the system with parameter uncertainty. The coordinate vect...

This paper is devoted to the construction and to the identification of a probabilistic model of random fields in presence of modeling errors, in high stochastic dimension and presented in the context of computational structural dynamics. Due to the high stochastic dimension of the random quantities which have to be identified using statistical inverse methods (challenging problem), a complete m...