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Research ArticleOpen accessIn the abstractA COMPARATIVE STUDY FOR RHODOPSIN PROTEIN FOLDING PROBLEMIman Ahmed Mahmoud, Amr Ahmed Badr, Mostafa Abdel AzimProteins are very important components in any living cells. A number of diseases such as Retinitis pigmentosa, Stargadt-like macular degeneration and Doyne Honeycomb Retinal Dystrophy (DHRD) diseases are shown to result from misfunctioning of proteins. Protein folding problem is a way to predict the best and optimal 3D molecular structure (tertiary structure) of a protein which is then considered to … …Journal of Computer Science, Vol. 10, Issue 10 · 6 May 2014 · 7,071 accessesView PDFCite
Research ArticleOpen accessIn the abstractIdentification of Pharmacological Targets Combining Docking and Molecular Dynamics SimulationsIlizaliturri-Flores Ian, Rosas-Trigueros Jorge Luis, Carrillo-Vazquez Jonathan Pablo et al.Studies that include both experimental data and computational simulations (in silico) have increased in number because the techniques are complementary. In silico methodologies are currently an essential component of drug design; moreover, identification and optimization of the best ligand based on the structures of biomolecules are common scientific challenges. Geometric structural properties of biomolecules explain their behavior and interactions and … …American Journal of Agricultural and Biological Sciences, Vol. 8, Issue 1 · 21 Mar 2013 · 8,128 accessesView PDFCite
Research ArticleOpen accessIn the abstractIN SILICO DESIGN OF THE M2 PROTON CHANNEL INHIBITORS OF H1N1 VIRUSUsman Sumo Friend Tambunan, Mochamad Reza Rahdiansyah, Arli Aditya ParikesitM2 proton channel of H1N1 Influenza A virus is the target protein anti-flu drugs amantadine and rimantadine. However, the two once powerful adamantane-based drugs lost their 90% bioactivity because of mutations of virus in recent twenty years. The resistance of influenza A virus to amantadine need to develop more effective adamantane-based drugs. Several research by molecular docking method have been … …OnLine Journal of Biological Sciences, Vol. 13, Issue 1 · 5 Jan 2013 · 7,999 accessesView PDFCite
Research ArticleOpen accessIn the abstractDensity Functional Theory Based Quantitative Structure Activity Relationship Study of 2,5-Bis(1-Aziridinyl)-p-Benzoquinones with Lymphoid LeukemiaBahjat A. Saeed, Rita S. EliasProblem statement: QSAR techniques increase the probability of success and reduce time and coast in drug discovery process. The study presented QSAR investigation on 32 bioactive aziridinylbenzoquinones that have activity against lymphoid leukemia. Approach: Molecular descriptors, molecular weight, total energy, hardness, chemical potential, electrophilicity index, HOMO and LUMO energies were calculated. Initial geometry optimizations were carried out with the AM1 … …American Journal of Applied Sciences, Vol. 7, Issue 7 · 31 Jul 2010 · 7,211 accessesView PDFCite
Research ArticleOpen accessIn the abstractThe Effect of adjusting PH on Stretchability and Meltability to White Brined Nabulsi CheeseAyman Suliman Mazahreh, Jihad M. Quasem, Ali Faleh Al-Shawabkeh, Ibrahim Abdullah AfanehProblem statement: Boiled white brined (Nabulsi cheese) is the mostly consumed in Jordan; this cheese should show meltability and high stretchability in order to fit in the production of high quality Kunafa and other popular local sweets and pastries.The most outstanding characteristic of Nabulsi cheese is the long keeping ability (more than one year) without cooling, since it is preserved … …American Journal of Applied Sciences, Vol. 6, Issue 4 · 3 Apr 2009 · 7,786 accessesView PDFCite
Research ArticleOpen accessIn the abstractSolving Protein Folding Problem using Elitism-Based Compact Genetic AlgorithmAmr Badr, Ibtehal M. Aref, Basma M. Hussien, Yosr EmanProteins are vital components of living cells. A number of diseases such as Alzheimer's, Cystic fibrosis and Mad Cow diseases are shown to result from misfunctioning of proteins. Problem statement: Protein folding problem is the process of predicting the optimal 3D molecular structure of a protein, or tertiary structure, which is an indication of its proper function. Approach: An enhancement … …Journal of Computer Science, Vol. 4, Issue 7 · 31 Jul 2008 · 6,856 accessesView PDFCite