25 results for “Molecular Modeling”

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Research ArticleOpen accessAll words, across the recordSimulation of Parallel Logical Operations with Biomolecular ComputingMahnaz Kadkhoda, Ali A. PouyanBiomolecular computing is the computational method that uses the potential of DNA as a parallel computing device. DNA computing can be used to solve NP-complete problems. An appropriate application of DNA computation is large-scale evaluation of parallel computation models such as Boolean Circuits. In this study, we present a molecular-based algorithm for evaluation of Nand-based Boolean Circuits. The contribution of … …American Journal of Applied Sciences, Vol. 5, Issue 12 · 31 Dec 2008 · 6,687 accessesView PDF Cite

Research ArticleOpen accessAll words, across the recordIn silico Modeling of α1A-Adrenoceptor: Interaction of its Normal and Mutated Active Sites with Noradrenaline as well as its Agonist and AntagonistRamchandran Vijayan, Naidu Subbarao, Birendra Nath MallickNoradrenaline, like most other neurotransmitters, acts through various adrenoceptor subtypes. The structure and active site of adrenoceptors for the binding of noradrenaline were unknown, however, such information are crucial for understanding the molecular mechanism of action of neurotransmitters, including noradrenaline, in health and disease as well as for drug designing. In this in silico study, we modeled the α1A-adrenoceptor; a … …American Journal of Biochemistry and Biotechnology, Vol. 3, Issue 4 · 31 Dec 2007 · 7,140 accessesView PDF Cite

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