Article
Molecular recognition in proteins. Simulation analysis of substrate binding by a tyrosyl-tRNA synthetase mutant.
Journal of molecular biology - 4 Mar 1994
Lau F T, Karplus M
Abstract excerpt
Alchemical molecular dynamics simulations are performed to determine the difference in the free energy of binding of the tyrosine substrate between the wild type of tyrosyl-tRNA synthetase (TyrRS) from Bacillus stearothermophilus and the mutant Tyr169-->Phe. The results are of general interest be...
Topics
- Bacterial Proteins
- Binding Sites
- Computer Simulation
- Crystallography, X-Ray
- Geobacillus stearothermophilus
- Hydrogen Bonding
- Models, Chemical
- Models, Molecular
- Molecular Structure
- Mutation
- Protein Conformation
- Sequence Deletion
- Substrate Specificity
- Thermodynamics
- Tyrosine-tRNA Ligase