Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. [electronic resource]
- Proteins Dec 1999
- 641-53 p. digital
Publication Type: Comparative Study; Journal Article; Research Support, U.S. Gov't, P.H.S.
0887-3585
10.1002/(sici)1097-0134(19991201)37:4<641::aid-prot14>3.0.co;2-w doi
Benzamidines--chemistry Benzylamines--chemistry Crystallography, X-Ray Kinetics Macromolecular Substances Models, Molecular Protein Binding Protein Conformation Static Electricity Thermodynamics Trypsin--chemistry Trypsin Inhibitors--chemistry