N. Ota, C. Stroupe, J.M.S. Ferreira-da-Silva, S.A. Shah, M. Mares-Guia, and A. T. Brunger,
Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine,
Proteins: Structure, Function, and Genetics 37, 641-653 (1999).Primary data
1CE5.pdb (171.1 KB bytes): deposited coordinates