Dynamical Equation Approach to Protein Design
Author(s) -
Kei Tokita,
Macoto Kikuchi,
Yukito Iba
Publication year - 2000
Publication title -
progress of theoretical physics supplement
Language(s) - English
Resource type - Journals
ISSN - 0375-9687
DOI - 10.1143/ptps.138.378
Subject(s) - simulated annealing , convergence (economics) , sequence (biology) , representation (politics) , mathematics , structural equation modeling , computer science , algorithm , mathematical optimization , chemistry , machine learning , politics , political science , law , economics , economic growth , biochemistry
structure in a conformation space is maximized at low but finite temperature. The key feature of the proposed approach is soft spin representation of monomer variables that leads to the "design equation 3)". The advantage of the present approach is its parallel evolution of the monomer sequence variables and the resulting rapid convergence. We review the recent development of design schemes, implement numerical simulations by the design equation for the generalized HP model 24), 26), 27), and compare the performance with an algorithm based on the simulated annealing in sequence space.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom