Abstract
The minimization of potential energy functions plays an important role in the determination of ground states or stable states of certain classes of molecular clusters and proteins. In this paper we introduce some of the most commonly used potential energy functions and discuss different optimization methods used in the minimization of nonconvex potential energy functions. A very complete bibliography is also given.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 117-133 |
| Number of pages | 17 |
| Journal | Journal of Global Optimization |
| Volume | 4 |
| Issue number | 2 |
| DOIs | |
| State | Published - Mar 1 1994 |
| Externally published | Yes |
Keywords
- Molecular conformation
- global optimization
- nonconvex potential functions
- parallel algorithms
- protein folding
- simulated annealing
ASJC Scopus subject areas
- Computer Science Applications
- Management Science and Operations Research
- Control and Optimization
- Applied Mathematics