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Optimal input design for the detection of changes towards unknown hypotheses
(Taylor & Francis Ltd, 2004)
The effects of auxiliary input signals on detecting changes in ARMAX processes via statistical tests are discussed. Two extensions to the Cumulative Sum Test are considered. The first is applicable when the direction of ...
How an Inhibitor Bound to Subunit Interface Alters Triosephosphate Isomerase Dynamics
(Cell Press, 2015)
The tunnel region at triosephosphate isomerase (TIM)'s dimer interface distant from its catalytic site is a target site for certain benzothiazole derivatives that inhibit TIM's catalytic activity in Trypanosoma cruzi the ...
SiPAN: simultaneous prediction and alignment of protein-protein interaction networks
(Oxford University Press, 2015)
Motivation: Network prediction as applied to protein-protein interaction (PPI) networks has received considerable attention within the last decade. Because of the limitations of experimental techniques for interaction ...
Design and synthesis of novel 2-pyrazoline analogues and their hMAO inhibitory activities
(Wiley-Blackwell, 2015)
[Abstract Not Available]
SPINAL: scalable protein interaction network alignment
(Oxford University Press, 2013)
Motivation: Given protein-protein interaction (PPI) networks of a pair of species a pairwise global alignment corresponds to a one-to-one mapping between their proteins. Based on the presupposition that such a mapping ...
Lower lower-critical spin-glass dimension from quenched mixed-spatial-dimensional spin glasses
(Amer Physical Soc., 2018)
By quenched-randomly mixing local units of different spatial dimensionalities we have studied Ising spin-glass systems on hierarchical lattices continuously in dimensionalities 1 <= d <= 3. The global phase diagram in ...
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
(Amer Chemical Soc, 2013)
Molecular dynamics simulations and quantum-mechanical calculations were performed to characterize a supra-molecular tris(imidazolyl) calix[6]arene Zn2+ aqua complex as a biomimetic model for the catalyzed hydration of ...
Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach
(Amer Physical Soc., 2013)
Heavy nuclei exhibit a crossover from vibrational to rotational collectivity as the number of neutrons or protons increases from shell closure towards midshell but the microscopic description of this crossover has been a ...
A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
(Public Library Science, 2015)
Irreversible inactivation of human acetylcholinesterase (hAChE) by organophosphorous pesticides (OPs) and chemical weapon agents (CWA) has severe morbidity and mortality consequences. We present data from quantum ...
Energy Storage with Pumped Hydrostorage Systems Under Uncertainty
(Springer International Publishing Ag, 2015)
Energy storage is becoming an important problem as the difference between supply and demand becomes sharper and the availability of energy resources is not possible all the time. A pumped hydrostorage system (PHSS) which ...