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Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case |
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| Authors: | Elena Papaleo Paolo Mereghetti Piercarlo Fantucci Rita Grandori Luca De Gioia |
| Affiliation: | aDepartment of Biotechnology and Bioscience, University of Milano-Bicocca, 20126 Milan, Italy;bDepartment of Chemistry, University of Sassari, 07100 Sassari, Italy |
| Abstract: | |
| Keywords: | Molecular dynamics Conformational sampling Myoglobin Structural clustering Free-energy landscape |
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