Article
Free energy simulations of the HyHEL-10/HEL antibody-antigen complex.
Protein engineering - 1 Jul 1995
Pomès R, Willson R C, McCammon J A
Abstract excerpt
Free energy simulations are reported for the N31LD mutation, both in the HyHEL-10-HEL antibody-lysozyme complex and in the unliganded antibody, using the thermodynamic-cycle perturbation method. The present study suggests that the mutation would change the free energy of binding of the complex by...
Topics
- Antigen-Antibody Complex
- Immunoglobulin Variable Region
- Models, Chemical
- Muramidase
- Mutation
- Poisson Distribution
- Protein Conformation
- Thermodynamics
- Water