This is a list of software & Databases that has been developed by or passed through the laboratory of Prof Sir Tom L. Blundell over the years.
Collating this list is ongoing and not exhaustive. It is currently maintained by Arian Jamasb (arj39@cam.ac.uk). If your work is not included, and you would like it to be, please reach out to me by email. However, I am not a maintainer of these works - please contact the relevant authors if you have questions about usage.
MODELLER -
FUGUE
JOY -
CODA
CHORAL: a differential geometry approach to the prediction of the cores of protein structures
PROVAT: a tool for Voronoi tessellation analysis of protein structures and complexes
SCORE: predicting the core of protein models
Rappertk: a versatile engine for discrete restraint-based conformational sampling of macromolecules
ARABESQUE: A tool for protein structural comparison using differential geometry and knot theory
PocketPicker: Analysis of ligand binding-sites with shape descriptors.
SDM
mCSM
DUET
pkCSM
mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance
Ulla: a program for calculating environment-specific amino acid substitution tables
XSuLT: a web server for structural annotation and representation of sequence-structure alignments
pyDock
USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
Arpeggio
HOMSTRAD -
CAMPASS
A database of globular protein structural domains: clustering of representative family members into similar folds
CREDO: a protein–ligand interaction database for drug discovery
Platinum: a database of experimentally measured effects of mutations on structurally defined protein–ligand complexes
BIPA: a database for protein–nucleic acid interaction in 3D structures
Comprehensive, atomic-level characterization of structurally characterized protein-protein interactions: the PICCOLO database
TIMBAL v2: update of a database holding small molecules modulating protein–protein interactions
Genome3D
CHOPIN: a web resource for the structural and functional proteome of Mycobacterium tuberculosis
DDBASE2. 0: updated domain database with improved identification of structural domains
SInCRe—structural interactome computational resource for Mycobacterium tuberculosis
ProCarbDB: a database of carbohydrate-binding proteins
TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species
Mabellini: a genome-wide database for understanding the structural proteome and evaluating prospective antimicrobial targets of the emerging pathogen Mycobacterium abscessus
XSuLT: a web server for structural annotation and representation of sequence-structure alignments