Article
Molecular modeling of proteins: a strategy for energy minimization by molecular mechanics in the AMBER force field.
Journal of biomolecular structure & dynamics - 1 Dec 1991
Kini R M, Evans H J
Abstract excerpt
Energy minimization is an important step in molecular modeling of proteins. In this study, we sought to develop a minimization strategy which would give the best final structures with the shortest computer time in the AMBER force field. In the all-atom model, we performed energy minimization of t...
Topics
- Algorithms
- Animals
- Computer Simulation
- Crystallography
- Elapid Venoms
- Melitten
- Models, Molecular
- Muramidase
- Mutation
- N-Acetylmuramoyl-L-alanine Amidase
- Protein Conformation
- Thermodynamics