CRANKITE: A fast polypeptide backbone conformation sampler
Document Type
Article
Publication Date
6-24-2008
Abstract
Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sampler of backbone conformations in continuous three-dimensional space in atomic details. Methods: In contrast to other programs relying on local Metropolis moves in the space of dihedral angles, our sampler utilizes local crankshaft rotations of rigid peptide bonds in Cartesian space. Results: The sampler allows fast simulation and analysis of secondary structure formation and conformational changes for proteins of average length. © 2008 Podtelezhnikov and Wild; licensee BioMed Central Ltd.
Publication Title
Source Code for Biology and Medicine
Recommended Citation
Podtelezhnikov, A.,
&
Wild, D.
(2008).
CRANKITE: A fast polypeptide backbone conformation sampler.
Source Code for Biology and Medicine,
3.
http://doi.org/10.1186/1751-0473-3-12
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/13016