IMPROVED SCATTER SEARCH ALGORITHM FOR PREDICTING PROTEIN STRUCTURES
Iman Ghalayini
Broschiertes Buch

IMPROVED SCATTER SEARCH ALGORITHM FOR PREDICTING PROTEIN STRUCTURES

All-Atoms Model

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In this book, I present an improved scatter search (SS) algorithm for predicting all-atoms protein structures using the CHARMM22 energy model. My algorithm produces a 3D structure of the whole protein by minimizing the energy function linked to protein folding. This is based on a sequence of amino acids as well as on data collected from known protein structures for comparative purposes. Defined as an evolutionary algorithm, SS relies on a population of candidate solutions. Candidate solutions, over a number of iterations, experience evolutionary operations which combine intense search and dive...