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...
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...
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 ...
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...