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Combined Crystallographic and Solution Molecular Dynamics Study of Allosteric Effects in Ester and Ketone p-tert-Butylcalix[4]arene Derivatives and Their Complexes with Acetonitrile, Cd(II), and Pb(II)
(AMER CHEMICAL SOC, 2008)
We describe here a procedure to bridge the gap in the field of calixarene physicochemistry between solid-state atomic-resolution structural information and the liquid-state low-resolution thermodynamics and spectroscopic ...
Purificação e caracterização bioquímica de poligalacturonases produzidas pelo fungo Penicillium viridicatum RFC3 em fermentação em estado sólido e submersa
(Universidade Estadual Paulista (UNESP), 2014)
Purificação e caracterização bioquímica de poligalacturonases produzidas pelo fungo Penicillium viridicatum RFC3 em fermentação em estado sólido e submersa
(Universidade Estadual Paulista (Unesp), 2014)
A combined theoretical and spectroscopic study of 4,6-di-O-acetyl-2,3-dideoxy-d-erythro-hex-2-enopyranosyl sulfamide: a novel glycosyl carbonic anhydrase IX inhibitor
(Elsevier, 2011-02)
The novel 4,6-di-O-acetyl-2,3-dideoxy-D-erythro-hex-2-enopyranosyl sulfamide, which exhibits selectivity for inhibiting isoform IX of carbonic anhydrase as overexpressed in many tumors, has been investigated from a combined ...
[4 + 3] and [4 + 2] mechanisms of the Diels-Alder reactions of vinylboranes: an analysis of the electron charge density distribution
(Royal Society of Chemistry, 2013-09)
The Diels-Alder (DA) reactions of isoprene with vinylborane, dimethylvinylborane and dichlorovinylborane have been studied using density functional theory and the quantum theory of atoms in molecules. We evaluated the ...
Isolamento de uma quitinase extraída do cefalotórax do camarão marinho Litopenaeus schmitti (BURKENROAD, 1936) : avaliação de suas atividades antimicrobiana e larvicida
(Universidade Federal do Rio Grande do NorteBRUFRNPrograma de Pós-Graduação em BioquímicaBioquímica; Biologia Molecular, 2011-06-17)
Chitinases are enzymes involved in degradation of chitin and are present in a range of organisms, including those that do not contain chitin, such as bacteria, viruses, plants and animals, and play important physiological ...
How reliable could economic Hartree-Fock computations be in studying large, folded peptides? A comparative HF and DFT case study on N- and C-protected aspartic acid
(Elsevier Science, 2002-12)
In this study, potential energy hypersurfaces have been generated and analyzed for each of the nine possible backbone (BB) conformations for both the endo and exo forms of N-acetyl-L-aspartic acid N′-methylamide. Ab initio ...