Protein dynamics with off-lattice Monte Carlo moves

Details Protein dynamics with off-lattice Monte Carlo moves Protein dynamics with off-lattice Monte Carlo moves

1996-02-14

arxiv.org/abs/chem-ph/9602003v1

Physics

Chemical Physics

10 pages, 4 Postscript figures, uses epsf.sty and a4.sty; scheduled tentatively for Phys.Rev.E issue of 1 March 1996

Scientific paper

10.1103/PhysRevE.53.4221

A Monte Carlo method for dynamics simulation of all-atom protein models is introduced, to reach long times not accessible to conventional molecular dynamics. The considered degrees of freedom are the dihedrals at C$_\alpha$-atoms. Two Monte Carlo moves are used: single rotations about torsion axes, and cooperative rotations in windows of amide planes, changing the conformation globally and locally, respectively. For local moves Jacobians are used to obtain an unbiased distribution of dihedrals. A molecular dynamics energy function adapted to the protein model is employed. A polypeptide is folded into native-like structures by local but not by global moves.

Affiliated with

Also associated with

No associations

Rating

Protein dynamics with off-lattice Monte Carlo moves does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Protein dynamics with off-lattice Monte Carlo moves, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Protein dynamics with off-lattice Monte Carlo moves will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-43