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Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

Elena PapaleoDepartment of Biotechnology and Bioscience, University of Milano-Bicocca, 20126 Milan, Italy. [email protected]Paolo MereghettiDepartment of Biotechnology and Bioscience, University of Milano-Bicocca, 20126 Milan, ItalyPiercarlo FantucciDepartment of Biotechnology and Bioscience, University of Milano-Bicocca, 20126 Milan, ItalyRita GrandoriDepartment of Biotechnology and Bioscience, University of Milano-Bicocca, 20126 Milan, ItalyLuca De GioiaDepartment of Biotechnology and Bioscience, University of Milano-Bicocca, 20126 Milan, Italy
2009en
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