Computational methods in drug discovery
Computer-aided drug discovery/design methods have played a major role in the
development of therapeutically important small molecules for over three decades. These …
development of therapeutically important small molecules for over three decades. These …
[HTML][HTML] Can predicted protein 3D structures provide reliable insights into whether missense variants are disease associated?
S Ittisoponpisan, SA Islam, T Khanna, E Alhuzimi… - Journal of molecular …, 2019 - Elsevier
Abstract Knowledge of protein structure can be used to predict the phenotypic consequence
of a missense variant. Since structural coverage of the human proteome can be roughly …
of a missense variant. Since structural coverage of the human proteome can be roughly …
Protein disorder—a breakthrough invention of evolution?
A Schlessinger, C Schaefer, E Vicedo… - Current opinion in …, 2011 - Elsevier
As an operational definition, we refer to regions in proteins that do not adopt regular three-
dimensional structures in isolation, as disordered regions. An antipode to disorder would be …
dimensional structures in isolation, as disordered regions. An antipode to disorder would be …
JPred4: a protein secondary structure prediction server
Abstract JPred4 (http://www. compbio. dundee. ac. uk/jpred4) is the latest version of the
popular JPred protein secondary structure prediction server which provides predictions by …
popular JPred protein secondary structure prediction server which provides predictions by …
Protein structure and function prediction using I‐TASSER
I‐TASSER is a hierarchical protocol for automated protein structure prediction and structure‐
based function annotation. Starting from the amino acid sequence of target proteins, I …
based function annotation. Starting from the amino acid sequence of target proteins, I …
Scalable web services for the PSIPRED Protein Analysis Workbench
DWA Buchan, F Minneci, TCO Nugent… - Nucleic acids …, 2013 - academic.oup.com
Here, we present the new UCL Bioinformatics Group's PSIPRED Protein Analysis
Workbench. The Workbench unites all of our previously available analysis methods into a …
Workbench. The Workbench unites all of our previously available analysis methods into a …
Template-based protein structure modeling using the RaptorX web server
A key challenge of modern biology is to uncover the functional role of the protein entities that
compose cellular proteomes. To this end, the availability of reliable three-dimensional …
compose cellular proteomes. To this end, the availability of reliable three-dimensional …
Sixty-five years of the long march in protein secondary structure prediction: the final stretch?
Protein secondary structure prediction began in 1951 when Pauling and Corey predicted
helical and sheet conformations for protein polypeptide backbone even before the first …
helical and sheet conformations for protein polypeptide backbone even before the first …
Structural basis for dsRNA recognition, filament formation, and antiviral signal activation by MDA5
MDA5, a viral double-stranded RNA (dsRNA) receptor, shares sequence similarity and
signaling pathways with RIG-I yet plays essential functions in antiviral immunity through …
signaling pathways with RIG-I yet plays essential functions in antiviral immunity through …
Polymorphic toxin systems: comprehensive characterization of trafficking modes, processing, mechanisms of action, immunity and ecology using comparative …
Background Proteinaceous toxins are observed across all levels of inter-organismal and
intra-genomic conflicts. These include recently discovered prokaryotic polymorphic toxin …
intra-genomic conflicts. These include recently discovered prokaryotic polymorphic toxin …