23 articles for “Molecular Modeling”

Research ArticleOpen accessAll words, across the recordQSAR Modeling of Thirty Active Compounds for the Inhibition of the Acetylcholinesterase EnzymeNour El Houda Hammoudi, Yacine Benguerba, Widad SobhiThis work aims at developing a reliable and predictive QSAR model which allows, on one hand, an exploration of the main molecular descriptors responsible for the inhibitory activity towards the Acetylcholinesterase enzyme and, on the other hand, predict the inhibitory activity of new compounds before testing them experimentally. This study involves a series of DL0410 and its 29 DL0410 derivatives. … …Current Research in Bioinformatics, Vol. 8, Issue 1 · 2 Mar 2020 · 11,426 accessesView PDF Cite

Research ArticleOpen accessAll words, across the recordStructural Characterization at the Atomic Level of a Molecular Nano-Machine: The State of the Art of Helicobacter Pylori Flagellum OrganizationIvana Pulić, Valentina Loconte, Giuseppe ZanottiMotility is fundamental for success in colonization and survival of the human pathogen H. pylori, the bacterium that colonizes about half of the human population. Motility is achieved through flagella. In this review the present structural knowledge about the organization of H. pylori flagella is summarized, considering not only the structure of its proteins, but also what is known about … …American Journal of Biochemistry and Biotechnology, Vol. 10, Issue 3 · 12 Nov 2014 · 8,310 accessesView PDF Cite

Research ArticleOpen accessAll words, across the recordMathematical Modeling and Interpretation of PbPc Gas Sensor ArrayNidal F. Shilbayeh, Mahmoud Z. IskandaraniThe voltage/current characteristics and the effect of NO2 gas on the electrical conductivity of a PbPc gas sensor array is investigated. The gas sensor is manufactured using vacuum deposition of gold electrodes on sapphire substrate with the lead-phathalocyanine vacuum sublimed on the top of the gold electrodes. Two versions of the PbPc gas sensor array are investigated. The tested types … …American Journal of Applied Sciences, Vol. 3, Issue 6 · 30 Jun 2006 · 6,789 accessesView PDF Cite