The DOCK program explores possible orientations of a molecule within a macromolecular active site by superimposing atoms onto precomputed site points. Here we compare a number of different search methods, including an exhaustive matching algorithm based on a single docking graph. We evaluate the per
A comparison of heuristic search algorithms for molecular docking
β Scribed by David R. Westhead; David E. Clark; Christopher W. Murray
- Book ID
- 110256440
- Publisher
- Springer Netherlands
- Year
- 1997
- Tongue
- English
- Weight
- 300 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0920-654X
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
An algorithm for solving the protein docking problem is presented. Many tentative dockings are fist generated by requiring a hole on the surface of one protein to match a knob on the surface of the other. All the tentative dockings are then applied. The initial configurations thus generated are furt
In this paper we consider a simplified version of the stock cutting (two-dimensional bin packing) problem. We compare three meta-heuristic algorithms (genetic algorithm (GA), tabu search (TS) and simulated annealing (SA)) when applied to this problem. The results show that tabu search and simulated