[HTML][HTML] Co-evolution techniques are reshaping the way we do structural bioinformatics
S de Oliveira, C Deane - F1000Research, 2017 - ncbi.nlm.nih.gov
Co-evolution techniques were originally conceived to assist in protein structure prediction by
inferring pairs of residues that share spatial proximity. However, the functional relationships …
inferring pairs of residues that share spatial proximity. However, the functional relationships …
[PDF][PDF] Applications of contact predictions to structural biology
Evolutionary pressure on residue interactions, intramolecular or intermolecular, that are
important for protein structure or function can lead to covariance between the two positions …
important for protein structure or function can lead to covariance between the two positions …
[HTML][HTML] Ab initio modelling of the structure of ToxA-like and MAX fungal effector proteins
Pathogenic fungal diseases in crops are mediated by the release of effector proteins that
facilitate infection. Characterising the structure of these fungal effectors is vital to …
facilitate infection. Characterising the structure of these fungal effectors is vital to …
[PDF][PDF] Molecular replacement using structure predictions from databases
AJ Simpkin, JMH Thomas, F Simkovic… - … Section D: Structural …, 2019 - journals.iucr.org
Molecular replacement (MR) is the predominant route to solution of the phase problem in
macromolecular crystallography. Where the lack of a suitable homologue precludes …
macromolecular crystallography. Where the lack of a suitable homologue precludes …
Potential DNA binding and nuclease functions of ComEC domains characterized in silico
JA Baker, F Simkovic, HMC Taylor… - Proteins: Structure …, 2016 - Wiley Online Library
Bacterial competence, which can be natural or induced, allows the uptake of exogenous
double stranded DNA (dsDNA) into a competent bacterium. This process is known as …
double stranded DNA (dsDNA) into a competent bacterium. This process is known as …
[PDF][PDF] Phasertng: directed acyclic graphs for crystallographic phasing
AJ McCoy, DH Stockwell, MD Sammito… - … Section D: Structural …, 2021 - journals.iucr.org
Crystallographic phasing strategies increasingly require the exploration and ranking of
many hypotheses about the number, types and positions of atoms, molecules and/or …
many hypotheses about the number, types and positions of atoms, molecules and/or …
[HTML][HTML] Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in AMPLE
DJ Rigden, JMH Thomas, F Simkovic… - Biological …, 2018 - journals.iucr.org
Molecular replacement (MR) is the predominant route to solution of the phase problem in
macromolecular crystallography. Although routine in many cases, it becomes more effortful …
macromolecular crystallography. Although routine in many cases, it becomes more effortful …
ConPlot: web-based application for the visualization of protein contact maps integrated with other data
F Sánchez Rodríguez, S Mesdaghi, AJ Simpkin… - …, 2021 - academic.oup.com
Covariance-based predictions of residue contacts and inter-residue distances are an
increasingly popular data type in protein bioinformatics. Here we present ConPlot, a web …
increasingly popular data type in protein bioinformatics. Here we present ConPlot, a web …
SEQUENCE SLIDER: integration of structural and genetic data to characterize isoforms from natural sources
Proteins isolated from natural sources can be composed of a mixture of isoforms with similar
physicochemical properties that coexist in the final steps of purification. Yet, even where …
physicochemical properties that coexist in the final steps of purification. Yet, even where …
[HTML][HTML] Identification of residue pairing in interacting β-strands from a predicted residue contact map
Background Despite the rapid progress of protein residue contact prediction, predicted
residue contact maps frequently contain many errors. However, information of residue …
residue contact maps frequently contain many errors. However, information of residue …