Browsing by Subject "Computer Simulation"
Now showing items 1-20 of 26
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Conference Object
Accomodation of failures in the flight control system of the F-16 aircraft using adaptive control
(Publ by American Automatic Control Council, 1990)The effect of surface and hardware failure on the flight control system of the F-16 fighter aircraft is examined. In the absence of failures and unpredictable changes, the controller, which is based on gains scheduling, ...
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Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase
(2001)Specific amino acid binding by aminoacyl-tRNA synthetases (aaRS) is necessary for correct translation of the genetic code. Engineering a modified specificity into aminoacyl-tRNA synthetases has been proposed as a means to ...
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A Biophysical Model of Endocannabinoid-Mediated Short Term Depression in Hippocampal Inhibition
(2013)Memories are believed to be represented in the synaptic pathways of vastly interconnected networks of neurons. The plasticity of synapses, that is, their strengthening and weakening depending on neuronal activity, is ...
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Bootstrap confidence bands for spectra and cross-spectra
(1992)A new nonparametric method for setting confidence intervals and confidence bands for spectra and cross-spectra of stationary weakly dependent time series is presented. The proposed methodology involves using a bootstrap ...
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Combining two strategies to improve perfusion and drug delivery in solid tumors
(2013)Blood perfusion in tumors can be significantly lower than that in the surrounding normal tissue owing to the leakiness and/or compression of tumor blood vessels. Impaired perfusion reduces oxygen supply and results in a ...
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Computational predictions of the tensile properties of electrospun fibre meshes: Effect of fibre diameter and fibre orientation
(2008)The mechanical properties of biomaterial scaffolds are crucial for their efficacy in tissue engineering and regenerative medicine. At the microscopic scale, the scaffold must be sufficiently rigid to support cell adhesion, ...
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Computational sidechain placement and protein mutagenesis with implicit solvent models
(2007)Structure prediction and computational protein design should benefit from accurate solvent models. We have applied implicit solvent models to two problems that are central to this area. First, we performed sidechain placement ...
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Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water
(2007)The cyclic 13-residue peptide compstatin is a potential therapeutic agent against the unregulated activation of the complement system. A thorough knowledge of its structural and dynamical properties in solution may assist ...
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Dielectric relaxation in an enzyme active site: Molecular dynamics simulations interpreted with a macroscopic continuum model
(2001)Dielectric relaxation plays an important role in many chemical processes in proteins, including acid-base titration, ligand binding, and charge transfer reactions. Its complexity makes experimental characterization difficult, ...
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Free energy simulations: The meaning of the individual contributions from a component analysis
(1994)A theoretical analysis is made of the decomposition into contributions from individual interactions of the free energy calculated by thermodynamic integration. It is demonstrated that such a decomposition, often referred ...
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Glycogen phosphorylase inhibitors: A free energy perturbation analysis of glucopyranose spirohydantoin analogues
(2005)GP catalyzes the phosphorylation of glycogen to Glc-1-P. Because of its fundamental role in the metabolism of glycogen, GP has been the target for a systematic structure-assisted design of inhibitory compounds, which could ...
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Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure
(2007)This paper presents the results of a ligand-based virtual screening optimized procedure on 98 compounds which have been recently evaluated as inhibitors of genotype 1 HCV polymerase. First, quantitative structure-activity ...
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In Vitro localized release of thermosensitive liposomes with ultrasound-induced hyperthermia
(2013)
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Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: Proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity
(2012)The ASCT2 transport system catalyses a sodium-dependent antiport of glutamine and other neutral amino acids which is involved in amino acid metabolism. A library of 1,2,3-dithiazoles was designed, synthesized and evaluated ...
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Learning systems in biosignal analysis
(1997)In biosignal analysis, the utility of artificial neural networks (ANN) in classifying electromyographic (EMG) data trained with the momentum back propagation algorithm has recently been demonstrated. In the current study, ...
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Conference Object
Model reference adaptive control for plants with unknown relative degree
(Publ by IEEE, 1989)One of the basic assumptions in stable model reference adaptive control is that the relative degree n* of the modeled part of the plant is known exactly and matches that of the reference model. The authors relax this ...
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Molecular optimization using computational multi-objective methods
(2007)Improving the profile of a molecule for the drug-discovery process requires the simultaneous optimization of numerous, often competing objectives. Traditionally, standard chemo-informatics methods ignored this problem and ...
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Conference Object
Non-linear robust adaptive control of a SCARA manipulator
(Publ by IEEE, 1989)A nonlinear adaptive controller is presented for manipulator tracking control. The controller is shown to be robust with respect to jump parameter changes such as payload variations. A benchmark model of a two-degrees-of-freedom ...