𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An analysis of current methodologies for conformational searching of complex molecules

✍ Scribed by Howard, Allison E.; Kollman, Peter A.


Book ID
121431709
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
1023 KB
Volume
31
Category
Article
ISSN
0022-2623

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Efficient algorithm for conformational s
✍ Wang, Cheuk-San πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 345 KB πŸ‘ 2 views

A new algorithm, complementarity, is developed for conformational search of macrocyclic molecules. The algorithm scans a large number of candidate conformations and energy-minimizes only the promising ones. These candidates can be generated by two operators that construct new conformations from know

An ant algorithm for the conformational
✍ Frits Daeyaert; Marc De Jonge; Luc Koymans; Maarten Vinkers πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 592 KB

## Abstract Originally, the ant system was developed for optimization in discrete search spaces such as the traveling salesman problem. We detail our adaptation of the algorithm to optimization in the continuous search space of conformational analysis. The parameters of the algorithm were tuned usi