Estimating ruggedness of free-energy landscapes of small globular proteins from principal component analysis of molecular dynamics trajectories
The internal dynamics of biomolecules, and hence their function, is governed by the structure of their free-energy landscape. Early flash-photolysis experiments on myoglobin suggested that the free-energy landscapes of proteins are hierarchically structured, with a characteristic distribution of fre...
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| Format: | Article |
| Language: | English |
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American Physical Society
2022
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| Subjects: | |
| Online Access: | View Fulltext in Publisher |