FILTREST3D: discrimination of structural models using restraints from experimental data

MJ Gajda, I Tuszynska, M Kaczor, AY Bakulina… - …, 2010 - academic.oup.com
Automatic methods for macromolecular structure prediction (fold recognition, de novo folding
and docking programs) produce large sets of alternative models. These large model sets …

[HTML][HTML] SELECTpro: effective protein model selection using a structure-based energy function resistant to BLUNDERs

A Randall, P Baldi - BMC structural biology, 2008 - Springer
Background Protein tertiary structure prediction is a fundamental problem in computational
biology and identifying the most native-like model from a set of predicted models is a key …

A “FRankenstein's monster” approach to comparative modeling: Merging the finest fragments of Fold‐Recognition models and iterative model refinement aided by 3D …

J Kosinski, IA Cymerman, M Feder… - Proteins: Structure …, 2003 - Wiley Online Library
We applied a new multi‐step protocol to predict the structures of all targets during CASP5,
regardless of their potential category. 1) We used diverse fold‐recognition (FR) methods to …

A physics-based scoring function for protein structural decoys: Dynamic testing on targets of CASP-ROLL

YB Ruiz-Blanco, Y Marrero-Ponce, Y García… - Chemical Physics …, 2014 - Elsevier
Most successful structure prediction strategies use knowledge-based functions for global
optimization, in spite of their intrinsic limited potential to create new folds, while physics …

The victor/FRST function for model quality estimation

SCE Tosatto - Journal of Computational Biology, 2005 - liebertpub.com
Scoring functions are widely used in the final step of model selection in protein structure
prediction. This is of interest both for comparative modeling targets, where it is important to …

FFAS-3D: improving fold recognition by including optimized structural features and template re-ranking

D Xu, L Jaroszewski, Z Li, A Godzik - Bioinformatics, 2014 - academic.oup.com
Motivation: Homology detection enables grouping proteins into families and prediction of
their structure and function. The range of application of homology-based predictions can be …

Consistent refinement of submitted models at CASP using a knowledge‐based potential

G Chopra, N Kalisman, M Levitt - Proteins: Structure, Function …, 2010 - Wiley Online Library
Protein structure refinement is an important but unsolved problem; it must be solved if we are
to predict biological function that is very sensitive to structural details. Specifically, critical …

MAMMOTH (matching molecular models obtained from theory): an automated method for model comparison

AR Ortiz, CEM Strauss, O Olmea - Protein Science, 2002 - Wiley Online Library
Advances in structural genomics and protein structure prediction require the design of
automatic, fast, objective, and well benchmarked methods capable of comparing and …

GalaxyRefine: Protein structure refinement driven by side-chain repacking

L Heo, H Park, C Seok - Nucleic acids research, 2013 - academic.oup.com
The quality of model structures generated by contemporary protein structure prediction
methods strongly depends on the degree of similarity between the target and available …

Application of 3D‐Jury, GRDB, and Verify3D in fold recognition

M Grotthuss, J Pas, L Wyrwicz… - Proteins: Structure …, 2003 - Wiley Online Library
Abstract In CASP5, the BioInfo. PL group has used the structure prediction Meta Server and
the associated newly developed flexible meta‐predictor, called 3D‐Jury, as the main …