Protein Structure Prediction: Assembly of Secondary Structure Elements by Basin-Hopping

Protein structure prediction using basin-hopping.

Associative memory Hamiltonian structure prediction potentials are not overly rugged, thereby suggesting their landscapes are like those of actual proteins. In the present contribution we show how basin-hopping global optimization can identify low-lying minima for the corresponding mildly frustrated energy landscapes. For small systems the basin-hopping algorithm succeeds in locating both lower...

Protein secondary structure prediction.

The past year has seen a consolidation of protein secondary structure prediction methods. The advantages of prediction from an aligned family of proteins have been highlighted by several accurate predictions made 'blind', before any X-ray or NMR structure was known for the family. New techniques that apply machine learning and discriminant analysis show promise as alternatives to neural networks.

Prediction of Protein Secondary Structure

In the wake of large-scale DNA sequencing projects, accurate tools are needed to predict protein structures. The problem of predicting protein structure from DNA sequence remains fundamentally unsolved even after more than three decades of intensive research. In this paper, fundamental theory of the protein structure will be presented as a general guide to protein secondary structure prediction...

BCL::Fold - De Novo Prediction of Complex and Large Protein Topologies by Assembly of Secondary Structure Elements

Computational de novo protein structure prediction is limited to small proteins of simple topology. The present work explores an approach to extend beyond the current limitations through assembling protein topologies from idealized α-helices and β-strands. The algorithm performs a Monte Carlo Metropolis simulated annealing folding simulation. It optimizes a knowledge-based potential that analyz...

Automatic Protein Structure Clustering Using Secondary Structure Elements