Title :
Physical Markov model for protein structure prediction
Author :
Kang, Yeona ; Fortmann, Charles M.
Author_Institution :
Mater. Sci. Dept., Stony Brook Univ., Stony Book, NY, USA
Abstract :
Popular protein folding simulations such as molecular dynamics (MD)-based simulations require large amounts of CPU time. Statistical template and combined MD template simulations can be very accurate. However, they often fail to provide physical insight into the physical processes of folding and mis-folding. The presented Markov simulation based on particle diffusion and drift via rotation angle is: fast, reasonably accurate, and provides essential insights. Solving many intermediate problems lead to these abilities.
Keywords :
Markov processes; bioinformatics; molecular dynamics method; proteins; Markov simulation; molecular dynamics simulations; particle diffusion; physical Markov model; protein folding simulations; protein structure prediction; rotation angle; Books; Dielectric constant; Electrostatics; Kinetic theory; Materials science and technology; Nuclear magnetic resonance; Predictive models; Proteins; Thermal force; Torque; kinetics; protein-folding; secondary structure; tertiary structure;
Conference_Titel :
Bioinformatics and Biomedicine Workshop, 2009. BIBMW 2009. IEEE International Conference on
Conference_Location :
Washington, DC
Print_ISBN :
978-1-4244-5121-0
DOI :
10.1109/BIBMW.2009.5332075