The prospects of quantum computing in computational molecular biology

C Outeiral, M Strahm, J Shi, GM Morris… - Wiley …, 2021 - Wiley Online Library
Quantum computers can in principle solve certain problems exponentially more quickly than
their classical counterparts. We have not yet reached the advent of useful quantum …

A decade of CASP: progress, bottlenecks and prognosis in protein structure prediction

J Moult - Current opinion in structural biology, 2005 - Elsevier
For the past ten years, CASP (Critical Assessment of Structure Prediction) has monitored the
state of the art in modeling protein structure from sequence. During this period, there has …

Advances in protein structure prediction and de novo protein design: A review

CA Floudas, HK Fung, SR McAllister… - Chemical Engineering …, 2006 - Elsevier
This review provides an exposition to the important problems of (i) structure prediction in
protein folding and (ii) de novo protein design. The recent advances in protein folding are …

[HTML][HTML] Inter-residue interactions in protein folding and stability

MM Gromiha, S Selvaraj - Progress in biophysics and molecular biology, 2004 - Elsevier
During the process of protein folding, the amino acid residues along the polypeptide chain
interact with each other in a cooperative manner to form the stable native structure. The …

Ab initio protein structure prediction

C Hardin, TV Pogorelov, Z Luthey-Schulten - Current opinion in structural …, 2002 - Elsevier
Steady progress has been made in the field of ab initio protein folding. A variety of methods
now allow the prediction of low-resolution structures of small proteins or protein fragments …

bcl:: Cluster: A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System

N Alexander, N Woetzel, J Meiler - 2011 IEEE 1st international …, 2011 - ieeexplore.ieee.org
Clustering algorithms are used as data analysis tools in a wide variety of applications in
Biology. Clustering has become especially important in protein structure prediction and …

Computational methods in protein structure prediction

CA Floudas - Biotechnology and bioengineering, 2007 - Wiley Online Library
This review presents the advances in protein structure prediction from the computational
methods perspective. The approaches are classified into four major categories: comparative …

Exploring protein dynamics space: the dynasome as the missing link between protein structure and function

U Hensen, T Meyer, J Haas, R Rex, G Vriend… - PloS one, 2012 - journals.plos.org
Proteins are usually described and classified according to amino acid sequence, structure or
function. Here, we develop a minimally biased scheme to compare and classify proteins …

Proteins: sequence to structure and function-current status

SR Shenoy, B Jayaram - Current Protein and Peptide Science, 2010 - ingentaconnect.com
In an era that has been dominated by Structural Biology for the last 30-40 years, a dramatic
change of focus towards sequence analysis has spurred the advent of the genome projects …

ASTRO-FOLD: a combinatorial and global optimization framework for ab initio prediction of three-dimensional structures of proteins from the amino acid sequence

JL Klepeis, CA Floudas - Biophysical journal, 2003 - cell.com
The field of computational biology has been revolutionized by recent advances in genomics.
The completion of a number of genome projects, including that of the human genome, has …