PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure (pages 1697–1705)
Wouter Boomsma, Jes Frellsen, Tim Harder, Sandro Bottaro, Kristoffer E. Johansson, Pengfei Tian, Kasper Stovgaard, Christian Andreetta, Simon Olsson, Jan B. Valentin, Lubomir D. Antonov, Anders S. Christensen, Mikael Borg, Jan H. Jensen, Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg and Thomas Hamelryck
Version of Record online: 26 APR 2013 | DOI: 10.1002/jcc.23292
A new software package for the simulation and inference of protein structure is presented. The PHAISTOS framework contains a range of novel sampling techniques and probabilistic models, constituting a versatile toolkit for efficient simulations of protein structure. The package provides tools for a variety of tasks, including reversible folding simulations and probabilistic inference of protein structure from experimental data. The source code is released under an open source license, and full documentation is available online.