conformational analysis
Conformational analysis of lignin models.
... CONFORMATIONAL ANALYSIS OF LIGNIN MODELS. The conformational equilibrium for two 5,5’ biphenyl lignin models have been analyzed using a quantum mechanical semiempirical ...theoretical ...
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REVIEW EMPLOYING CONFORMATIONAL ANALYSIS IN THE MOLECULAR MODELING OF AGROCHEMICALS: INSIGHTS ON QSAR PARAMETERS OF 2,4-D
... a conformational distribution based on repeated random sampling, such as Monte-Carlo ...for conformational analysis and the implications of using selected conformations in ...
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Conformational analysis by theoretical calculations of distinctin, an antimicrobial peptide isolated from Phyllomedusa distincta.
... CONFORMATIONAL ANALYSIS BY THEORETICAL CALCULATIONS OF DISTINCTIN, AN ANTIMICROBIAL PEPTIDE ISOLATED FROM Phyllomedusa ...a conformational analysis of distinctin, a heterodimeric peptide ...
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Conformational analysis of Pneumococcal Surface Antigen A (PsaA) upon zinc binding by fluorescence spectroscopy
... PsaA conformational analysis both in the presence (Zn-rPsaA) and in the absence of Zinc ...medium. Analysis of the heat-induced denaturation demonstrated that Zinc-binding promoted an increase in ...
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SIMS: a hybrid method for rapid conformational analysis.
... to conformational sampling [31] introduced the stochastic roadmap simulation, established the connection with Monte Carlo methods and dealt with problems involving conformations of much larger protein ...
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Flavonoids from Lonchocarpus araripensis (Leguminoseae) - isolation, unequivocal assignment of NMR signals 1H and 13C and conformational analysis.
... Uma revisão taxonômica 2 of Lonchocarpus no Brasil permitiu reconhecer 23 espécies divididas em dois subgê- neros: Lonchocarpus subgênero Lonchocarpus com 15 espécies e Lonchoca[r] ...
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J. Braz. Chem. Soc. vol.21 número1
... In this work, after validation by comparison with results obtained by DFT, the semi-empirical methods RM1 and PM6 were employed to perform conformational analysis of three oximes employed in chemical ...
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A Hypothetical Study on Structural aspects of Indole-3-carbinol (I3C) by Hyperchem and Arguslab 4 software
... computed. Conformational analysis and geometry optimization of Indole-3-carbinol (I3C) was performed according to the Hartree-Fock (HF) calculation method by ArgusLab ...
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Análise estrutural e topológica de peptídeos bioativos em meios biomiméticos de membranas
... STRUCTURAL DETERMINATION BY NMR SPECTROSCOPY AND CONFORMATIONAL ANALYSIS OF CHAIN 2 OF PHYLLOMEDUSA DISTINCTA AN ANTIMICROBIAL PEPTIDE FROM PHYLLOMEDUSA DISTINCTA ANURANS, 2008. (Congress,Presentations in ...
183
J. Braz. Chem. Soc. vol.21 número5
... calculated conformational data with their X-ray crystallographic ...by conformational analysis with the AM1 method followed by geometry optimization by using the DFT B3LYP/6-31 G(d,p) basis set are ...
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2-Color calcium pump reveals closure of the cytoplasmic headpiece with calcium binding.
... undergoes conformational changes while transporting calcium, but the details of the domain motions are still ...Tg-dependent conformational change was not decreased by coexpression of phospholamban (PLB), ...
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Biological and conformational evaluation of angiotensin II lactam bridge containing analogues
... Angiotensin II analogues were manually synthesized on a chloromethylated resin using the solid phase method and a t-Boc strategy. Main chain assembly was mediated by DIC, TBTU and BOP. Orthogonal protection of the side ...
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Broad-temperature range spectroscopy of the two-centre modular redox metalloprotein Desulfovibrio desulfuricans desulfoferrodoxin
... features of pink DFx are less resolved at low temperature, per- haps in part due to difficulties in controlling the redox level of this form. The VT MCD and CD spectra are, however, much better resolved. The spectral ...
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Mechanism of association and reciprocal activation of two GTPases.
... multiple conformational rearrangements are required to form an activated FfhFtsY complex and (ii) some rearrangements can be blocked without preventing other rearrangements from taking ...our analysis and ...
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Switch region for pathogenic structural change in conformational disease and its prediction.
... of conformational changes through reports in which a switch role is evident, such as experiments to inhibit the pathogenic change process (prion) and disease-related point mutations observed in clinical ...
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Investigating the conformational stability of prion strains through a kinetic replication model.
... model-based analysis of these properties in mammalian prions in ...different conformational stability are generated in vitro from full length mammalian ...
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TECHNICAL SOLUTIONS FOR MODELING PANTS PATTERNS IN CORRESPONDENCE WITH WOMEN'S CONFORMATIONAL PARTICULARITIES
... Abstract: Nowadays developed countries are concerned about environmental issues and some laws are focused on preserving it. This means that some industrial procedures must be redesigned and the ancestral ones can be ...
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A unified conformational selection and induced fit approach to protein-peptide docking.
... combines conformational selection and induced fit ...date. Conformational selection at the rigid-body docking stage successfully recovers the most relevant conformation for a given protein-peptide complex ...
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Effect of fluorine atom substitution on the conformational equilibrium of chalcone.
... Esta situação espacial contribui para o aumento da concentra- ção da conformação s-trans no equilíbrio conformacional, além de diminuir a capacidade retiradora de elétrons do grupo car[r] ...
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J. Braz. Chem. Soc. vol.16 número3A
... into which the sulfite ion may enter before the oxidation can take place. Notice that the CuTSPc has complementary geometry and charge. However, the potentials found for the Ru(III/II) process are all equivalent (except ...
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