Protein structure prediction from sequence variation
Genomic sequences contain rich evolutionary information about functional constraints on
macromolecules such as proteins. This information can be efficiently mined to detect …
macromolecules such as proteins. This information can be efficiently mined to detect …
Ab initio protein structure assembly using continuous structure fragments and optimized knowledge‐based force field
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 …
owing to the difficulties in force field design and conformational search. We developed a …
Bioinformatics and variability in drug response: a protein structural perspective
JL Lahti, GW Tang, E Capriotti… - Journal of The …, 2012 - royalsocietypublishing.org
Marketed drugs frequently perform worse in clinical practice than in the clinical trials on
which their approval is based. Many therapeutic compounds are ineffective for a large …
which their approval is based. Many therapeutic compounds are ineffective for a large …
Role of the biomolecular energy gap in protein design, structure, and evolution
SJ Fleishman, D Baker - Cell, 2012 - cell.com
The folding of natural biopolymers into unique three-dimensional structures that determine
their function is remarkable considering the vast number of alternative states and requires a …
their function is remarkable considering the vast number of alternative states and requires a …
Effective inter-residue contact definitions for accurate protein fold recognition
C Yuan, H Chen, D Kihara - BMC bioinformatics, 2012 - Springer
Background Effective encoding of residue contact information is crucial for protein structure
prediction since it has a unique role to capture long-range residue interactions compared to …
prediction since it has a unique role to capture long-range residue interactions compared to …
MESSA: MEta-server for protein sequence analysis
Q Cong, NV Grishin - BMC biology, 2012 - Springer
Background Computational sequence analysis, that is, prediction of local sequence
properties, homologs, spatial structure and function from the sequence of a protein, offers an …
properties, homologs, spatial structure and function from the sequence of a protein, offers an …
The MULTICOM toolbox for protein structure prediction
Background As genome sequencing is becoming routine in biomedical research, the total
number of protein sequences is increasing exponentially, recently reaching over 108 million …
number of protein sequences is increasing exponentially, recently reaching over 108 million …
Principles, challenges and advances in ab initio protein structure prediction
A Jothi - Protein and peptide letters, 2012 - ingentaconnect.com
The gap between known protein sequences and structures is increasing rapidly and
experimental methods alone will not be able to fill in this gap. Therefore it is necessary to …
experimental methods alone will not be able to fill in this gap. Therefore it is necessary to …
Biased decoy sampling to aid the selection of near-native protein conformations
A central challenge in ab-initio protein structure prediction is the selection of low-resolution
decoy conformations whose subsequent refinement leads to high-resolution near-native …
decoy conformations whose subsequent refinement leads to high-resolution near-native …
A filtering technique for fragment assembly-based proteins loop modeling with constraints
Methods to predict the structure of a protein often rely on the knowledge of macro sub-
structures and their exact or approximated relative positions in space. The parts connecting …
structures and their exact or approximated relative positions in space. The parts connecting …