Methods for the refinement of protein structure 3D models

R Adiyaman, LJ McGuffin - International journal of molecular sciences, 2019 - mdpi.com
The refinement of predicted 3D protein models is crucial in bringing them closer towards
experimental accuracy for further computational studies. Refinement approaches can be …

MUFOLD: A new solution for protein 3D structure prediction

J Zhang, Q Wang, B Barz, Z He, I Kosztin… - Proteins: Structure …, 2010 - Wiley Online Library
There have been steady improvements in protein structure prediction during the past 2
decades. However, current methods are still far from consistently predicting structural …

Improvement of 3D protein models using multiple templates guided by single-template model quality assessment

MT Buenavista, DB Roche, LJ McGuffin - Bioinformatics, 2012 - academic.oup.com
Motivation: Modelling the 3D structures of proteins can often be enhanced if more than one
fold template is used during the modelling process. However, in many cases, this may also …

Template based protein structure modeling by global optimization in CASP 11

K Joo, IS Joung, SY Lee, JY Kim… - Proteins: Structure …, 2016 - Wiley Online Library
For the template‐based modeling (TBM) of CASP11 targets, we have developed three new
protein modeling protocols (nns for server prediction and LEE and LEER for human …

The Protein Model Portal—a comprehensive resource for protein structure and model information

J Haas, S Roth, K Arnold, F Kiefer, T Schmidt… - Database, 2013 - academic.oup.com
Abstract The Protein Model Portal (PMP) has been developed to foster effective use of 3D
molecular models in biomedical research by providing convenient and comprehensive …

Progress and challenges in high‐resolution refinement of protein structure models

KMS Misura, D Baker - Proteins: Structure, Function, and …, 2005 - Wiley Online Library
Achieving atomic level accuracy in de novo structure prediction presents a formidable
challenge even in the context of protein models with correct topologies. High‐resolution …

Protein structure prediction and model quality assessment

A Kryshtafovych, K Fidelis - Drug discovery today, 2009 - Elsevier
Protein structures have proven to be a crucial piece of information for biomedical research.
Of the millions of currently sequenced proteins only a small fraction is experimentally solved …

Template-based protein structure modeling

A Fiser - Computational biology, 2010 - Springer
Functional characterization of a protein is often facilitated by its 3D structure. However, the
fraction of experimentally known 3D models is currently less than 1% due to the inherently …

Experimental accuracy in protein structure refinement via molecular dynamics simulations

L Heo, M Feig - Proceedings of the National Academy of …, 2018 - National Acad Sciences
Refinement is the last step in protein structure prediction pipelines to convert approximate
homology models to experimental accuracy. Protocols based on molecular dynamics (MD) …

3D-Jury: a simple approach to improve protein structure predictions

K Ginalski, A Elofsson, D Fischer, L Rychlewski - Bioinformatics, 2003 - academic.oup.com
Motivation: Consensus structure prediction methods (meta-predictors) have higher accuracy
than individual structure prediction algorithms (their components). The goal for the …