930 resultados para B-Riesz Potential
Resumo:
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.
Predicting peptides structure with solvation potential and rotamer library dependent of the backbone
Resumo:
In this work, genetic algorithms concepts along with a rotamer library dependent of backbone and implicit solvation potential are used to study the tertiary structure of peptides. We starting from known primary sequence and optimize the structure of the backbone while the side chains allowed adopting the conformations present in a rotamer library. The GA, implemented with two force fields with a growing complexity, was used predict the structure of a polyalanine and a poly-isolueucine. This paper presents good and interesting results about the study of peptides structures and about the development of computational tools to study peptides structures. (C) 2007 Elsevier B.V. All rights reserved.
Resumo:
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Resumo:
Several spider species use plants as shelter and foraging sites, but the relationships among these organisms are still poorly known. Lynx spiders of the genus Peucetia do not build webs, and many species live strictly in plants bearing glandular trichomes. Peucetia flava Keyserling 1877 inhabits Solanum thomasifolium in southeastern Brazil and usually preys on herbivores and other small insects adhered to the glandular trichomes of its host plant. To evaluate the potential anti-herbivore protection. of this spider species for S. thomasifolium, we glued termites used as herbivore models oil trichomes of S. thomasifolium and on neighboring plants lacking glandular trichomes. leaf miner damage and spider density were recorded for S. thomasifolium plants in July 1997. There was a positive relationship between plant size and spider density. The removal or termites in S. thomasifolium by P. flava was higher than ill plants without glandular trichomes. The leaf miner damage was negatively related to spider density. Our results Suggest that P. flava may be all important plant bodyguard in the defense of S. thomasifolium from its natural herbivores.
Resumo:
By considering a statistical model for the quark content of the nucleon, where the quark levels are generated by a Dirac equation with a harmonic scalar-plus-vector potential, we note that a good fit for the ratio between the structure functions of the neutron and proton, F-2(n)/F-2(p), can be obtained if different strengths are used for the effective confining potentials of the up and down quarks.
Resumo:
An algorithm for computing the propagator for three-dimensional quadratic gravity with a gravitational Chern-Simons term, based on an extension of the three-dimensional Barnes-Rivers operators, is proposed. A systematic study of the tree-level unitarity of this theory is developed and its agreement with Newton's law is investigated by computing the effective nonrelativistic potential. (C) 2000 Elsevier B.V. B.V. All rights reserved.
Resumo:
We study the expansion of a Bose-Einstein condensate trapped in a combined optical-lattice and axially-symmetric harmonic potential using the numerical solution of the mean-field Gross-Pitaevskii equation. First, we consider the expansion of such a condensate under the action of the optical-lattice potential alone. In this case the result of numerical simulation for the axial and radial sizes during expansion is in agreement with two experiments by Morsch et al (2002 Phys. Rev. A 66 021601(R) and 2003 Laser Phys. 13 594). Finally, we consider the expansion under the action of the harmonic potential alone. In this case the oscillation, and the disappearance and revival of the resultant interference pattern is in agreement with the experiment by Muller et al (2003 J. Opt. B: Quantum Semiclass. Opt. 5 S38).
Resumo:
We propose an approach which allows one to construct and use a potential function written in terms of an angle variable to describe interacting spin systems. We show how this can be implemented in the Lipkin-Meshkov-Glick, here considered a paradigmatic spin model. It is shown how some features of the energy gap can be interpreted in terms of a spin tunneling. A discrete Wigner function is constructed for a symmetric combination of two states of the model and its time evolution is obtained. The physical information extracted from that function reinforces our description of phase oscillations in a potential. (c) 2004 Elsevier B.V. All rights reserved.
Resumo:
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
Resumo:
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Resumo:
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Resumo:
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Resumo:
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
Resumo:
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
Resumo:
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)