Ab initio protein structure assembly using continuous structure fragments and optimized knowledge-based force field

• Published in: Proteins, structure, function, and bioinformatics Vol. 80; no. 7; pp. 1715 - 1735
• Main Authors: Xu, Dong, Zhang, Yang
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.07.2012; Wiley Subscription Services, Inc
• Subjects: Computer Simulation; Databases, Protein; Hydrogen Bonding; Models, Chemical; Models, Molecular; Monte Carlo Method; Monte Carlo simulation; Protein Conformation; Protein Folding; protein structure prediction; Proteins - chemistry; Sequence Alignment - methods; solvent accessibility; Solvents - chemistry; statistical potential

Ab initio protein folding is one of the major unsolved problems in computational biology owing to the difficulties in force field design and conformational search. We developed a novel program, QUARK, for template‐free protein structure prediction. Query sequences are first broken into fragments of...