Ab initio protein structure assembly using continuous structure fragments and optimized knowledge‐based force field

D Xu, Y Zhang - Proteins: Structure, Function, and …, 2012 - Wiley Online Library
Ab initio protein folding is one of the major unsolved problems in computational biology
owing to the difficulties in force field design and conformational search. We developed a …

Progress and challenges in protein structure prediction

Y Zhang - Current opinion in structural biology, 2008 - Elsevier
Depending on whether similar structures are found in the PDB library, the protein structure
prediction can be categorized into template-based modeling and free modeling. Although …

[HTML][HTML] TOUCHSTONE II: a new approach to ab initio protein structure prediction

Y Zhang, A Kolinski, J Skolnick - Biophysical journal, 2003 - cell.com
We have developed a new combined approach for ab initio protein structure prediction. The
protein conformation is described as a lattice chain connecting C α atoms, with attached C β …

The protein structure prediction problem could be solved using the current PDB library

Y Zhang, J Skolnick - … of the National Academy of Sciences, 2005 - National Acad Sciences
For single-domain proteins, we examine the completeness of the structures in the current
Protein Data Bank (PDB) library for use in full-length model construction of unknown …

Toward optimal fragment generations for ab initio protein structure assembly

D Xu, Y Zhang - Proteins: Structure, Function, and …, 2013 - Wiley Online Library
Fragment assembly using structural motifs excised from other solved proteins has shown to
be an efficient method for ab initio protein‐structure prediction. However, how to construct …

TOUCHSTONE: An ab initio protein structure prediction method that uses threading-based tertiary restraints

D Kihara, H Lu, A Kolinski… - Proceedings of the …, 2001 - National Acad Sciences
The successful prediction of protein structure from amino acid sequence requires two
features: an efficient conformational search algorithm and an energy function with a global …

Ab initio protein folding

DJ Osguthorpe - Current Opinion in Structural Biology, 2000 - Elsevier
Ab initio protein folding methods have been developing rapidly over the past few years and,
at the last Critical assessment of methods of protein structure prediction (CASP) meeting, it …

Protein structure prediction: when is it useful?

Y Zhang - Current opinion in structural biology, 2009 - Elsevier
Computationally predicted three-dimensional structure of protein molecules has
demonstrated the usefulness in many areas of biomedicine, ranging from approximate …

[HTML][HTML] Ab initio protein structure prediction using chunk-TASSER

H Zhou, J Skolnick - Biophysical journal, 2007 - cell.com
We have developed an ab initio protein structure prediction method called chunk-TASSER
that uses ab initio folded supersecondary structure chunks of a given target as well as …

[HTML][HTML] Improving the physical realism and structural accuracy of protein models by a two-step atomic-level energy minimization

D Xu, Y Zhang - Biophysical journal, 2011 - cell.com
Most protein structural prediction algorithms assemble structures as reduced models that
represent amino acids by a reduced number of atoms to speed up the conformational …