Method Of Dihedral Angles
Mostrando 1-8 de 8 artigos, teses e dissertações.
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1. Pesquisas em políticas de comunicação em contextos de crise
By way of Density Functional Theory (DFT)-based computational methods with commercially available software, the computational work of which about the molecular properties, the vibrational modes and vibrational frequencies of finasteride were accomplished for the first time. In order to gain a deeper and more thorough understanding of the molecular structure
Intercom, Rev. Bras. Ciênc. Comun.. Publicado em: 2020-05
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2. VIBRATIONAL SPECTROSCOPIC INVESTIGATION AND MOLECULAR STRUCTURE OF A 5α-REDUCTASE INHIBITOR: FINASTERIDE
By way of Density Functional Theory (DFT)-based computational methods with commercially available software, the computational work of which about the molecular properties, the vibrational modes and vibrational frequencies of finasteride were accomplished for the first time. In order to gain a deeper and more thorough understanding of the molecular structure
Quím. Nova. Publicado em: 2020-05
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3. Análise da deformação pós-Rifte na Bacia do Araripe, Nordeste do Brasil
The Araripe Basin is located over Precambrian terrains of the Borborema Province, being part of Northeast Brazil inner basins. Its origin is related to the fragmentation of the Gondwana supercontinent and consequently opening of South Atlantic during early Cretaceous. The basin has a sedimentary infill encompassing four distinct evolution stages, comprising
Publicado em: 2010
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4. Aspectos especiais e temporais do problema do enovelamento protÃico
The manner in which a protein folds from a random coil into a unique native state in a relatively short time is one of the fundamental puzzles of molecular biophysics. It is well accepted that a unique native three-dimensional structure, characteristic of each protein and determined by the sequence of its amino-acids, dictates protein functions. In this Thes
Publicado em: 2002
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5. Estudo de monocromadores assimetricos de raios-X
Asymmetric X-ray monochromators, firsts introduced by I. Fankuchen ( 1937 ) with the purpose of concentrating an X-ray beam have been the subject of numerous investigations. Evans, Hirsch and Kellar as early as 1948, based ther well known and hitherto unchallenged study on the hypothetic existence of a non-ref1ecting surface layer with an absorption coeffici
Publicado em: 1979
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6. Combined-information protein structure refinement: Potential energy-constrained real-space method for refinement with limited diffraction data
A potential energy-constrained real-space refinement method designed for use with x-ray diffraction data of low to moderate resolution has been developed. The number of adjustable parameters is severely restricted to ensure a reasonable ratio of data to parameters. Only dihedral angles are allowed to vary; bond lengths and bond angles are fixed at physically
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7. DNA bending: the prevalence of kinkiness and the virtues of normality.
DNA bending in 86 complexes with sequence-specific proteins has been examined using normal vector plots, matrices of normal vector angles between all base pairs in the helix, and one-digit roll/slide/twist tables. FREEHELIX, a new program especially designed to analyze severely bent and kinked duplexes, generates the foregoing quantities plus local roll, til
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8. Interdependence of conformational variables in double-helical DNA.
DNA exhibits conformational polymorphism, with the details depending on the sequence and its environment. To understand the mechanisms of conformational polymorphism and these transitions, we examine the interrelationships among the various conformational variables of DNA. In particular, we examine the stress-strain relation among conformational variables, d