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BMCBI
2008
146views more  BMCBI 2008»
13 years 4 months ago
Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
Jean-François Taly, Antoine Marin, Jean-Fra...
BMCBI
2008
138views more  BMCBI 2008»
13 years 4 months ago
Using neural networks and evolutionary information in decoy discrimination for protein tertiary structure prediction
Background: We present a novel method of protein fold decoy discrimination using machine learning, more specifically using neural networks. Here, decoy discrimination is represent...
Ching-Wai Tan, David T. Jones
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...
BMCBI
2006
130views more  BMCBI 2006»
13 years 4 months ago
Docking protein domains in contact space
Background: Many biological processes involve the physical interaction between protein domains. Understanding these functional associations requires knowledge of the molecular str...
Stefano Lise, Alice Walker-Taylor, David T. Jones