Computed protein-protein enthalpy signatures as a tool for identifying conformation sampling problems
Understanding the thermodynamic signature of protein-peptide binding events is a major challenge in computational chemistry. The complexity generated by both components possessing many degrees of freedom poses a significant issue for methods that attempt to directly compute the enthalpic contributio...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Chemical Society
2023
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