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At least 451 records · Page 25Linked to original sources
PubMedDate not supplied

Rapid serological profiling by enzyme-linked immunosorbent assay. II. Comparison of computational methods for measuring antibody titer in a single serum dilution.

An enzyme-linked immunosorbent assay (ELISA) was used to measure specific antibody activity from a single serum dilution in sera of chickens exposed to Newcastle disease virus (NDV). Observed endpoint titers were used to formulate regression equations, and then absorbance data obtained at a single serum dilution were converted directly to antibody titer by three methods: a correction factor method, a subtraction method, and a double-regression method. Each method was evaluated for three criteria: the overall stability of between-test antibody titer for control sera, the linearity of the relationship of the absorbance values at a single working dilution to the observed antibody titers, and the method's accuracy in predicting titers. Although a nearly linear relationship was obtained for all treatment methods examined, the double-regression method provided the best reduction of between-test titer variation and also best predicted titers.

Animals↗
PubMed2005

Prediction of folding pathway and kinetics among plant hemoglobins using an average distance map method.

Computational methods, such as the ADM (average distance map) method, have been developed to predict folding of homologous proteins. In this work we used the ADM method to predict the folding pathway and kinetics among selected plant nonsymbiotic (nsHb), symbiotic (Lb), and truncated (tHb) hemoglobins (Hbs). Results predicted that (1) folding of plant Hbs occurs throughout the formation of compact folding modules mostly formed by helices A, B, and C, and E, F, G, and H (folding modules A/C and E/H, respectively), and (2) primitive (moss) nsHbs fold in the C-->N direction, evolved (monocot and dicot) nsHbs fold either in the C-->N or N-->C direction, and Lbs and plant tHbs fold in the C-->N direction. We also predicted relative folding rates of plant Hbs from qualitative analyses of the stability of subdomains and classified plant Hbs into fast and moderate folding. ADM analysis of nsHbs predicted that prehelix A plays a role during folding of the N-terminal domain of Ceratodon nsHb, and that CD-loop plays a role in folding of primitive (Physcomitrella and Ceratodon) but not evolved nsHbs. Modeling of the rice Hb1 A/C and E/H modules showed that module E/H overlaps to the Mycobacterium tuberculosis HbO two-on-two folding. This observation suggests that module E/H is an ancient tertiary structure in plant Hbs.

Amino Acid Sequence↗
PubMed2006

Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods.

Computational methods for predicting compounds of specific pharmacodynamic, pharmacokinetic, or toxicological property are useful for facilitating drug discovery and drug safety evaluation. The quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) methods are the most successfully used statistical learning methods for predicting compounds of specific property. More recently, other statistical learning methods such as neural networks and support vector machines have been explored for predicting compounds of higher structural diversity than those covered by QSAR and QSPR. These methods have shown promising potential in a number of studies. This article is intended to review the strategies, current progresses and underlying difficulties in using statistical learning methods for predicting compounds of specific property. It also evaluates algorithms commonly used for representing structural and physicochemical properties of compounds.

Pharmacokinetics↗
PubMed1992

A method for computer simulation of ultrasound Doppler color flow images--II. Simulation results.

A computational method of simulating Doppler color flow images has been developed. It is based on a point-scattering model of moving blood and surrounding tissue and is capable of treating the entire flow image generation process. Simulated images of parabolic flow dynamics in a cylindrical vessel are presented to show the statistical nature of the map of velocity estimates and to demonstrate the effects of wall filters and different display schemes. Quantitative results of extracted velocity profiles are included and indicate the usefulness of the simulation method for studying the quantitative capabilities of flow imaging.

Blood Flow Velocity↗
PubMed1983

Analysis of numerical methods for computer simulation of kinetic processes: development of KINSIM--a flexible, portable system.

A flexible and convenient computational method for the simulation of kinetic progress curves has been developed. A mechanism is represented in conventional chemical format with either kinetic or rapid equilibrium steps separating chemical species. A table describing the differential equations of the mechanism is generated and a direct numerical integration is performed. The same program can be used to simulate any number of mechanisms. The user may interactively set kinetic parameters to seek the optimal fit for a set of experiments, as determined by graphical superimposition of simulated curves with experimental data. Standard error analysis and automatic optimization may also be included. The program is computationally efficient and its interactive nature makes it a good teaching tool. The source code is written in FORTRAN IV and adheres closely with the ANSI 1966 standard, so as to make it maximally portable and machine independent.

Chemistry Techniques, Analytical↗