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» Protein Folding Simulation in CCP
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ICPP
2006
IEEE
14 years 3 months ago
Salsa: Scalable Asynchronous Replica Exchange for Parallel Molecular Dynamics Applications
— This paper presents Salsa, a novel, decentralized and asynchronous realization of the “replica exchange” algorithm for simulating the structure, function, folding, and dyna...
Li Zhang, Manish Parashar, Emilio Gallicchio, Rona...
BMCBI
2008
128views more  BMCBI 2008»
13 years 9 months ago
Pairwise covariance adds little to secondary structure prediction but improves the prediction of non-canonical local structure
Background: Amino acid sequence probability distributions, or profiles, have been used successfully to predict secondary structure and local structure in proteins. Profile models ...
Christopher Bystroff, Bobbie-Jo M. Webb-Robertson
BMCBI
2008
138views more  BMCBI 2008»
13 years 9 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 9 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...
CSB
2005
IEEE
140views Bioinformatics» more  CSB 2005»
14 years 2 months ago
TPR Packing Analysis and 3D Modeling for the HAT Domain of Human Crooked Neck Protein
Human crooked neck protein (hcrn) containing 17 HAT or TPR repeats plays a role in pre-mRNA processing. Conserved residues in the TPR consensus sequence of 34 aa were found at hel...
Zhenglin Hou, Cunxi Wang, Odd-Arne Olsen