| Autor: |
Ando, Maya, Fiesel, Fabienne, Hudec, Roman, Caulfield, Thomas, Ogaki, Kotaro, Górka-Skoczylas, Paulina, Koziorowski, Dariusz, Friedman, Andrzej, Chen, Li, Valina Dawson, Dawson, Ted, Guojun Bu, Ross, Owen, Wszolek, Zbigniew, Springer, Wolfdieter |
| Rok vydání: |
2017 |
| DOI: |
10.6084/m9.figshare.c.3750707_d2.v1 |
| Popis: |
FoldX measurement for mutational energy effect on stability of binding pocket. Using the FoldX algorithm, which compares the WT structure with the mutant, calculations on WT and mutant at t = 0 and after 100 ns were performed. While WT is nearly zero over that time interval, the N368 mutant increases energy (∆∆G) by 1.5–2 kcal/mol*Å2. This modest increase supports that the mutation distorts the local region via an increase of Gibb’s free energy. (DOCX 16 kb) |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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