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RECOMB
2007
Springer
14 years 4 months ago
Free Energy Estimates of All-Atom Protein Structures Using Generalized Belief Propagation
We present a technique for approximating the free energy of protein structures using Generalized Belief Propagation (GBP). The accuracy and utility of these estimates are then demo...
Hetunandan Kamisetty, Eric P. Xing, Christopher Ja...
UAI
2008
13 years 6 months ago
Convergent Message-Passing Algorithms for Inference over General Graphs with Convex Free Energies
Inference problems in graphical models can be represented as a constrained optimization of a free energy function. It is known that when the Bethe free energy is used, the fixedpo...
Tamir Hazan, Amnon Shashua
NIPS
2001
13 years 6 months ago
TAP Gibbs Free Energy, Belief Propagation and Sparsity
The adaptive TAP Gibbs free energy for a general densely connected probabilistic model with quadratic interactions and arbritary single site constraints is derived. We show how a ...
Lehel Csató, Manfred Opper, Ole Winther
BMCBI
2005
92views more  BMCBI 2005»
13 years 4 months ago
A decoy set for the thermostable subdomain from chicken villin headpiece, comparison of different free energy estimators
Background: Estimators of free energies are routinely used to judge the quality of protein structural models. As these estimators still present inaccuracies, they are frequently e...
Federico Fogolari, Silvio C. E. Tosatto, Giorgio C...