Estudos de relação estrutura atividade e docking - UFRJ
Estudos de relação estrutura atividade e docking - UFRJ
Estudos de relação estrutura atividade e docking - UFRJ
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xviiLISTA DE ABREVIATURAS*dpf <strong>docking</strong> parameter file*gpf grid parameter file1D Unidimensional3D TridimensionalADT AutoDockToolsAM1 Austin Mo<strong>de</strong>l 1AMBER Assisted Mo<strong>de</strong>l Building and Energy RefinementCADD Compute-Ai<strong>de</strong>d Drug DesignCASTp Computed Atlas of Surface and Topography of proteinsCHARMM Chemistry at HARvard Macromolecular MechanicscLogP Lipofilicida<strong>de</strong> calculadaCMV CitomegalovirsDFT Density Functional Teory (Teoria do Funcional da Densida<strong>de</strong>)DNA Deoxiribonucleic Acid (Ácido Desoxirribonucleico)GA Genetic Algorithm (Algoritmo Genético)HIV Human Immuno<strong>de</strong>ficiency virus (Vírus da Imuno<strong>de</strong>ficiência Humana)HSSP Homology-<strong>de</strong>rived Secondary Structure of Proteins databaseHSV-1 Herpes Simplex VirusConcentração que inibe 50% da viabilida<strong>de</strong> viralIC 50ICP35 Infected cell proteinLGA Lamarckian Genetic Algorithm (Algoritmo Genético Lamarckiano)LogS Solubilida<strong>de</strong> IntrínsecaMMFF Molecular Mechanics Force Field (Campo <strong>de</strong> Força <strong>de</strong> Mecânica Molecular)OPLS Optimized Potentials for Liquid SimulationsPDB Protein Data BankPM3 Parametric Mo<strong>de</strong>l 3PM6 Parametric Mo<strong>de</strong>l 6PMP Protein Mo<strong>de</strong>l PortalRM1 Recife Mo<strong>de</strong>l 1RMSD Root Mean Square DeviationSA Simulated Annealing (Anelamento Simulado)SAR Structure Activity Relationship (Relação Estrutura e Ativida<strong>de</strong>)SMR SWISS-MODEL RepositoryVP Viral protein