Three-dimensional protein structure prediction: Methods and computational strategies

M Dorn, MB e Silva, LS Buriol, LC Lamb - Computational biology and …, 2014 - Elsevier
A long standing problem in structural bioinformatics is to determine the three-dimensional (3-
D) structure of a protein when only a sequence of amino acid residues is given. Many …

General overview on structure prediction of twilight-zone proteins

BY Khor, GJ Tye, TS Lim, YS Choong - Theoretical Biology and Medical …, 2015 - Springer
Protein structure prediction from amino acid sequence has been one of the most challenging
aspects in computational structural biology despite significant progress in recent years …

Automated server predictions in CASP7

JND Battey, J Kopp, L Bordoli, RJ Read… - Proteins: Structure …, 2007 - Wiley Online Library
With each round of CASP (Critical Assessment of Techniques for Protein Structure
Prediction), automated prediction servers have played an increasingly important role. Today …

Protein‐structure prediction by recombination of fragments

JM Bujnicki - Chembiochem, 2006 - Wiley Online Library
The field of protein‐structure prediction has been revolutionized by the application of “mix‐
and‐match” methods both in template‐based homology modeling and in template‐free de …

A historical perspective of template-based protein structure prediction

J Guo, K Ellrott, Y Xu - Protein Structure Prediction, 2008 - Springer
This chapter presents a broad and a historical overview of the problem of protein structure
prediction. Different structure prediction methods, including homology modeling, fold …

Acceleration of sequence clustering using longest common subsequence filtering

Y Namiki, T Ishida, Y Akiyama - BMC bioinformatics, 2013 - Springer
Background Huge numbers of genomes can now be sequenced rapidly with recent
improvements in sequencing throughput. However, data analysis methods have not kept up …

Entropy-accelerated exact clustering of protein decoys

F Berenger, Y Zhou, R Shrestha, KYJ Zhang - Bioinformatics, 2011 - academic.oup.com
Motivation: Clustering is commonly used to identify the best decoy among many generated
in protein structure prediction when using energy alone is insufficient. Calculation of the …

Local error estimates dramatically improve the utility of homology models for solving crystal structures by molecular replacement

G Bunkoczi, B Wallner, RJ Read - Structure, 2015 - cell.com
Predicted structures submitted for CASP10 have been evaluated as molecular replacement
models against the corresponding sets of structure factor amplitudes. It has been found that …

A coarse-grained Langevin molecular dynamics approach to de novo protein structure prediction

TN Sasaki, H Cetin, M Sasai - Biochemical and biophysical research …, 2008 - Elsevier
De novo prediction of protein structures, the prediction of structures from amino acid
sequences which are not similar to those of hitherto resolved structures, has been one of the …

Rational Designing of Novel Proteins Through Computational Approaches

KM Poluri, K Gulati, KM Poluri, K Gulati - Protein Engineering Techniques …, 2017 - Springer
Advances in the computational power has bestowed us with several structural bioinformatics
tools that one can utilize them to predict the structures/structural models of the unknown …