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22 results for “Structure and Geometry”
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Research ArticleOpen accessAll words, across the recordDensity 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 accessAll words, across the recordUsing a Truss-Inspired Model with the Uniform Strength Optimization Theory to Predict Spongy Bone Geometry in Proximal FemurHamed Pishdast, Farzam Farahmand, Gholamreza RouhiThis paper presents a new naïve approach for simulating bone remodeling process. It is based on the uniform strength theory of optimization and employs a truss-like model for bone. The truss was subjected to external loads including 5 point loads simulating the hip joint contact forces and 3 muscular forces at the attachment sites of the muscles to the bone … …American Journal of Applied Sciences, Vol. 6, Issue 3 · 31 Mar 2009 · 7,174 accessesView PDFCite