Self-organizing superimposition algorith
β
Fangqiang Zhu; Dimitris K. Agrafiotis
π
Article
π
2007
π
John Wiley and Sons
π
English
β 168 KB
## Abstract A novel selfβorganizing algorithm for conformational sampling is introduced, in which precomputed conformations of rigid fragments are used as templates to enforce the desired geometry. Starting from completely random coordinates, the algorithm repeatedly superimposes the templates to a