Computer search algorithms in protein modification and design.
The computer-aided design of protein sequences requires efficient search algorithms to handle the enormous combinatorial complexity involved. A variety of different algorithms have now been applied with some success. The choice of algorithm can influence the representation of the problem in several important ways--the discreteness of the configuration, the types of energy terms that can be used and the ability to find the global minimum energy configuration. The use of dead end elimination to design the complete sequence for a small protein motif and the use of genetic and mean-field algorithms to design hydrophobic cores for proteins represent the major themes of the past year.
Desjarlais
J R
JR
Department of Chemistry, Pennsylvania State University, University Park 16802, USA. jrd@chem.psu.edu
Clarke
N D
ND
D000465:Algorithms; D001665:Binding Sites; D017076:Computer-Aided Design; D015195:Drug Design; D011487:Protein Conformation; D015202:Protein Engineering; D013816:Thermodynamics