Protein design based on the relative entropy.
An approach to protein design is proposed based on the relative entropy and a reduced amino acid alphabet. In this approach, the relative entropy is used as a minimization object function. The method has been tested on a real protein's off-lattice model successfully, and the results are similar to those obtained from other design studies. It can be applied as a uniform frame for both folding and inverse folding of protein. An iterative calculation method of the ensemble average of the contact strength is proposed at the same time.
Jiao
Xiong
X
College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100022, China.
Wang
Baohan
B
Su
Jiguo
J
Chen
Weizu
W
Wang
Cunxin
C
D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry; D030562:Databases, Protein; D019277:Entropy; D009010:Monte Carlo Method; D011506:Proteins / Q000737:chemistry*
D000596:Amino Acids; D011506:Proteins