Use of genetic algorithms and solvation potential to study peptides structure

In this work, genetic algorithms concepts along with a rotamer library for proteins side chains and implicit solvation potential are used to optimize the tertiary structure of peptides. We starting from the known PDB structure of its backbone which is kept fixed while the side chains allowed adopting the conformations present in the rotamer library. It was used rotamer library independent of backbone and a implicit solvation potential. The structure of Mastoporan-X was predicted using several force fields with a growing complexity; we started it with a field where the only present interaction was Lennard-Jones. We added the Coulombian term and we considered the solvation effects through a term proportional to the solvent accessible area. This paper present good and interesting results obtained using the potential with solvation term and rotamer library. Hence, the algorithm (called YODA) presented here can be a good tool to the prediction problem. (c) 2007 Elsevier B.V. All rights reserved.

Body size and flight distance in stingless bees (Hymenoptera: Meliponini): inference of flight range and possible ecological implications

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

A fuzzy inference system for identification of crossflow filtration processes

The crossflow filtration process differs of the conventional filtration by presenting the circulation flow tangentially to the filtration surface. The conventional mathematical models used to represent the process have some limitations in relation to the identification and generalization of the system behavior. In this paper, a system based on fuzzy logic systems is developed to overcome the problems usually found in the conventional mathematical models. Imprecisions and uncertainties associated with the measurements made on the system are automatically incorporated in the fuzzy approach. Simulation results are presented to justify the validity of the proposed approach.

Mapping lightning processes using fuzzy inference system

This paper describes a novel approach for mapping lightning processes using fuzzy logic. The core regarding lightning process is to identify and to model those uncertain information on mathematical principles. In fact, the lightning process involves several nonlinear features that our current mathematical tools would not be able to model. The estimation process has been carried out using a fuzzy system based on Sugeno's architecture. Simulation results confirm that proposed approach can be efficiently used in these types of problem.

ACCELERATING ITERATIVE ALGORITHMS FOR SYMMETRICAL LINEAR COMPLEMENTARITY-PROBLEMS

We propose a method for accelerating iterative algorithms for solving symmetric linear complementarity problems. The method consists in performing a one-dimensional optimization in the direction generated by a splitting method even for non-descent directions. We give strong convergence proofs and present numerical experiments that justify using this acceleration.

On the dissimilarity between the algorithms for computing the symmetric energy-momentum tensor in ordinary field theory and general relativity

The recipe used to compute the symmetric energy-momentum tensor in the framework of ordinary field theory bears little resemblance to that used in the context of general relativity, if any. We show that if one stal ts fi om the field equations instead of the Lagrangian density, one obtains a unified algorithm for computing the symmetric energy-momentum tensor in the sense that it can be used for both usual field theory and general relativity.

Bayesian longitudinal data analysis with mixed models and thick-tailed distributions using MCMC

Linear mixed effects models are frequently used to analyse longitudinal data, due to their flexibility in modelling the covariance structure between and within observations. Further, it is easy to deal with unbalanced data, either with respect to the number of observations per subject or per time period, and with varying time intervals between observations. In most applications of mixed models to biological sciences, a normal distribution is assumed both for the random effects and for the residuals. This, however, makes inferences vulnerable to the presence of outliers. Here, linear mixed models employing thick-tailed distributions for robust inferences in longitudinal data analysis are described. Specific distributions discussed include the Student-t, the slash and the contaminated normal. A Bayesian framework is adopted, and the Gibbs sampler and the Metropolis-Hastings algorithms are used to carry out the posterior analyses. An example with data on orthodontic distance growth in children is discussed to illustrate the methodology. Analyses based on either the Student-t distribution or on the usual Gaussian assumption are contrasted. The thick-tailed distributions provide an appealing robust alternative to the Gaussian process for modelling distributions of the random effects and of residuals in linear mixed models, and the MCMC implementation allows the computations to be performed in a flexible manner.

Analysis of heuristic algorithms for the transportation model in static and multistage planning in network expansion systems

The usefulness of the application of heuristic algorithms in the transportation model, first proposed by Garver, is analysed in relation to planning for the expansion of transmission systems. The formulation of the mathematical model and the solution techniques proposed in the specialised literature are analysed in detail. Starting with the constructive heuristic algorithm proposed by Garver, an extension is made to the problem of multistage planning for transmission systems. The quality of the solutions found by heuristic algorithms for the transportation model is analysed, as are applications in problems of planning transmission systems.

Psychophysical power functions for apparent area in perceptive, memory, and inference conditions for observers of different age groups

The purpose of this research was to verify the effect of age on the exponent of the power function in Perceptive, Memory, and Inference experimental conditions. In the Memory condition the intervals of 2 min., 8, 24, and 48 hr. and 1 wk. were used between acquisition of information and remembering. For each experimental condition the ages of observers ranged between 17 and 35 years (Group I), 40-55 years (Group II), and 60-77 years (Group III), and education ranged from high school to graduate school. The observers estimated the areas of the Brazilian states using the psychophysical method of magnitude estimation. No significant differences were obtained for Groups I, II, and III for each experimental condition, except in the Memory Condition with the 24-hr. interval. Analysis for experimental conditions and ages showed a significant difference between the Perceptive Condition and each of the others, but no difference between the Inference and Memory Conditions. These results indicated that in the remembering processes there is no loss of information as a function of age. From the small variability in the power function exponents for the three ages, we may assume that age could be related to amount of education of the observers, which suggests study is important.

A cost optimization-based design of precast concrete floors using genetic algorithms

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Genetic Algorithms (Binary and Real Codes) for the Optimisation of a Fermentation Process for Butanol Production

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Genetic parameters by Bayesian inference for dual purpose Jaffarabadi buffaloes

Knowledge of genetic parameters is essential for improved reproductive management and increased yield. Quantitative analysis of genetic parameters is lacking for many breeds of buffaloes. This article provides the first estimate of genetic parameters for dual purpose (meat and milk) Brazilian Jaffarabadi buffaloes, using Bayesian inference. Data on milk yield (MY), lactation length (LL), weight at 205 days (W205) and 365 (W365) days of age, and average daily gain (ADG) from 205 to 365 days of age were collected in two herds. Bivariate analyses (using the program MTGSAM) were performed with the Gibbs sampler to obtain estimates of variance and covariance. Average lactation milk yield and lactation length were 1 620.2 +/- 450.9 kg and 257.6 +/- 46.8 days, respectively, and the mean values for weight traits (kg) were 181.6 +/- 63.3 (W205), 298.04 +/- 116.1 (W365), and 0.73 +/- 0.35 (ADG). Heritability estimates (modes) were 0.16 for MY, 0.10 for LL, 0.43 for W205, 0.48 for W365 and 0.32 for ADG. There was a high genetic correlation (0.96) between milk yield and lactation length and very high genetic correlations (0.99) between the three growth traits. Our data suggest that both milk production and growth traits have clear potential for yield improvement through direct selection in this dual purpose breed. The selection for weight at an early age would be successful and selection for MY can be performed in the first lactation.

Using traditional heuristic algorithms on an initial genetic algorithm population applied to the transmission expansion planning problem

This paper analyses the impact of choosing good initial populations for genetic algorithms regarding convergence speed and final solution quality. Test problems were taken from complex electricity distribution network expansion planning. Constructive heuristic algorithms were used to generate good initial populations, particularly those used in resolving transmission network expansion planning. The results were compared to those found by a genetic algorithm with random initial populations. The results showed that an efficiently generated initial population led to better solutions being found in less time when applied to low complexity electricity distribution networks and better quality solutions for highly complex networks when compared to a genetic algorithm using random initial populations.