933 resultados para Potential theory (Mathematics).
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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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
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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.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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In the limit of small values of the aspect ratio parameter (or wave steepness) which measures the amplitude of a surface wave in units of its wave-length, a model equation is derived from the Euler system in infinite depth (deep water) without potential flow assumption. The resulting equation is shown to sustain periodic waves which on the one side tend to the proper linear limit at small amplitudes, on the other side possess a threshold amplitude where wave crest peaking is achieved. An explicit expression of the crest angle at wave breaking is found in terms of the wave velocity. By numerical simulations, stable soliton-like solutions (experiencing elastic interactions) propagate in a given velocities range on the edge of which they tend to the peakon solution. (c) 2005 Elsevier B.V. All rights reserved.
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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.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Chameleons are scalar fields that couple directly to ordinary matter with gravitational strength, but which nevertheless evade the stringent constraints on tests of gravity because of properties they acquire in the presence of high ambient matter density. Chameleon theories were originally constructed in a bottom-up, phenomenological fashion, with potentials and matter couplings designed to hide the scalar from experiments. In this paper, we attempt to embed the chameleon scenario within string compactifications, thus UV completing the scenario. We look for stabilized potentials that can realize a screening mechanism, and we find that the volume modulus rather generically works as a chameleon, and in fact the supersymmetric potential used by Kachru, Kallosh, Linde and Trivedi (KKLT) is an example of this type. We consider all constraints from tests of gravity, allowing us to put experimental constraints on the KKLT parameters.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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1/N(c) expansion in QCD (with N(c) the number of colors) suggests using a potential from meson sector (e.g., Richardson) for baryons. For light quarks a sigma-field has to be introduced to ensure chiral symmetry breaking (chi-SB). It is found that nuclear matter properties can be used to pin down the chi-SB modeling. All masses, M(N), m-sigma, m-omega, are found to scale with density. The equations are solved self-consistently.
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The metal-insulator or metal-amorphous semiconductor blocking contact is still not well understood. Here, we discuss the steady state characteristics of a non-intimate metal-insulator Schottky barrier. We consider an exponential distribution (in energy) of impurity states in addition to impurity states at a single energy level within the depletion region. We present analytical expressions for the electrical potential, field, thickness of depletion region, capacitance, and charge accumulated in the depletion region. We also discuss ln I versus V(ap) data. Finally, we compare the characteristics in three cases: (i) impurity states at only a single energy level; (ii) uniform energy distribution of impurity states; and (iii) exponential energy distribution of impurity states.In general, the electrical characteristics of Schottky barriers and metal-insulator-metal structures with Schottky barriers depend strongly on the energy distribution of impurity states.