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-Structure paper
Title | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. |
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Journal, issue, pages | Proteins, Vol. 37, Page 641-653, Year 1999 |
Publish date | Mar 16, 1999 (structure data deposition date) |
![]() | Ota, N. / Stroupe, C. / Ferreira-da-Silva, J.M. / Shah, S.A. / Mares-Guia, M. / Brunger, A.T. |
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Methods | X-ray diffraction |
Resolution | 1.9 Å |
Structure data | ![]() PDB-1ce5: ![]() PDB-2bza: |
Chemicals | ![]() ChemComp-CA: ![]() ChemComp-CL: ![]() ChemComp-SO4: ![]() ChemComp-BEN: ![]() ChemComp-HOH: ![]() ChemComp-ABN: |
Source |
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![]() | HYDROLASE / HYDROLASE (SERINE PROTEINASE) |