TY - GEN AU - Ota,N AU - Stroupe,C AU - Ferreira-da-Silva,J M AU - Shah,S A AU - Mares-Guia,M AU - Brunger,A T TI - Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine SN - 0887-3585 PY - 2000///0224 KW - Benzamidines KW - chemistry KW - Benzylamines KW - Crystallography, X-Ray KW - Kinetics KW - Macromolecular Substances KW - Models, Molecular KW - Protein Binding KW - Protein Conformation KW - Static Electricity KW - Thermodynamics KW - Trypsin KW - Trypsin Inhibitors N1 - Publication Type: Comparative Study; Journal Article; Research Support, U.S. Gov't, P.H.S UR - https://doi.org/10.1002/(sici)1097-0134(19991201)37:4<641::aid-prot14>3.0.co;2-w ER -