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Computer Simulation (Latest Articles)

 

Latest indexed articles for 'Computer Simulation'

Articles 51 to 60 of 200:

Advances in spike localization with EEG dipole modeling.

29 Sep 2009 EEG interpretation by visual inspection of waveforms, using the assumption that activity at a given electrode is a representation of only the activity of the cortex immediately beneath it, has been the traditional form of EEG analysis since its ...
rec_pub_19780349-advances-spike-localization-eeg-dipole-modeling.htm


Cellulose hydrolysis in evolving substrate morphologies I: A general modeling formalism.

29 Sep 2009 We develop a general framework for a realistic rate equation modeling of cellulose hydrolysis using non-complexed cellulase. Our proposed formalism, for the first time, takes into account explicitly the time evolution of the random substrate ...
rec_pub_19575461-cellulose-hydrolysis-evolving-substrate-morphologies-general-modeling.htm


Cellulose hydrolysis in evolving substrate morphologies II: Numerical results and analysis.

29 Sep 2009 Numerical simulation results are presented for a cellulose hydrolysis model which incorporates both the enzymatic glucan chain fragmentation kinetics and the hydrolytic substrate morphology evolution within the general framework of our companion ...
rec_pub_19526467-cellulose-hydrolysis-evolving-substrate-morphologies-ii-numerical.htm


Dynamic contrast-enhanced MRI of the breast: quantitative method for kinetic curve type assessment.

29 Sep 2009 OBJECTIVE: The type of contrast enhancement kinetic curve (i.e., persistently enhancing, plateau, or washout) seen on dynamic contrast-enhanced MRI (DCE-MRI) of the breast is predictive of malignancy. Qualitative estimates of the type of curve are ...
rec_pub_19770298-dynamic-contrast-enhanced-mri-breast-quantitative-method-kinetic.htm


Exploring the parameter space of the coarse-grained UNRES force field by random search: selecting a transferable medium-resolution force field.

29 Sep 2009 We explored the energy-parameter space of our coarse-grained UNRES force field for large-scale ab initio simulations of protein folding, to obtain good initial approximations for hierarchical optimization of the force field with new ...
rec_pub_19242966-exploring-parameter-space-coarse-grained-unres-force-field-random.htm


Extensive conformational searches of 13 representative dipeptides and an efficient method for dipeptide structure determinations based on amino acid conformers.

29 Sep 2009 Conformations of peptides are the basis for their property studies and the predictions of peptide structures are highly important in life science but very complex in practice. Here, thorough searches on the potential energy surfaces of 13 ...
rec_pub_19242963-extensive-conformational-searches-13-representative-dipeptides.htm


Molecular dynamics simulation exploration of cooperative migration mechanism of calcium ions in sarcoplasmic reticulum Ca2+-ATPase.

29 Sep 2009 Calcium ATPase is a member of the P-type ATPase, and it pumps calcium ions from the cytoplasm into the reticulum against a concentration gradient. Several X-ray structures of different conformations have been solved in recent years, providing basis ...
rec_pub_19242958-molecular-dynamics-simulation-exploration-cooperative-migration.htm


Time-dependent density functional calculations on the electronic spectra of the neutral nickel complex [Ni(LISQ)2] (LISQ = 3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) and its monoanion and dication.

29 Sep 2009 The electronic spectrum of the neutral nickel complex [Ni(LISQ)2] (LISQ = 3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) and the spectra of its anion and dication have been calculated by means of time-dependent density functional theory. The ...
rec_pub_19229945-time-dependent-density-functional-calculations-electronic-spectra.htm


The SAAP force field: development of the single amino acid potentials for 20 proteinogenic amino acids and Monte Carlo molecular simulation for short peptides.

29 Sep 2009 Molecular simulation by using force field parameters has been widely applied in the fields of peptide and protein research for various purposes. We recently proposed a new all-atom protein force field, called the SAAP force field, which utilizes ...
rec_pub_19140140-the-saap-force-field-development-single-amino-acid-potentials-20.htm


Multiple sequence alignment algorithm based on a dispersion graph and ant colony algorithm.

29 Sep 2009 In this article, we describe a representation for the processes of multiple sequences alignment (MSA) and used it to solve the problem of MSA. By this representation, we took every possible aligning result into account by defining the representation ...
rec_pub_19130503-multiple-sequence-alignment-algorithm-based-dispersion-graph-ant.htm

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