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References from Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison. Local targets link to admitted publications; unresolved targets remain external evidence.
Binding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurements
10.1371/journal.pone.0012214 · 2010 · External reference
Computational methodologies for compound database searching that utilize experimental protein–ligand interaction information
10.1111/j.1747-0285.2010.01007.x · 2010 · External reference
Structure-based approaches to target fishing and ligand profiling
10.1002/minf.200900081 · 2010 · External reference
Rapid comparison of protein binding site surfaces with property encoded shape distributions
10.1021/ci900317x · 2009 · External reference
PESDserv: a server for high-throughput comparison of protein binding site surfaces
10.1093/bioinformatics/btq288 · 2010 · External reference
Fast protein binding site comparisons using visual words representation
10.1093/bioinformatics/bts138 · 2012 · External reference
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
10.1186/1471-2105-11-99 · 2010 · External reference
10.1109/bibe.2012.6399684
10.1109/bibe.2012.6399684 · External reference
BSAlign: a rapid graph-based algorithm for detecting ligand-binding sites in protein structures
2008 · External reference
10.1145/2382936.2382941
10.1145/2382936.2382941 · 2012 · External reference
ProBiS-2012: web server and web services for detection of structurally similar binding sites in proteins
10.1093/nar/gks435 · 2012 · External reference
10.1002/prot.21858
10.1002/prot.21858 · External reference
10.1021/pr100719n
10.1021/pr100719n · External reference
Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein–ligand binding interactions
10.1021/jm030331x · 2004 · External reference
Combining machine learning and pharmacophore-based interaction fingerprint for in silico screening
10.1021/ci900382e · 2010 · External reference
APIF: a new interaction fingerprint based on atom pairs and its application to virtual screening
10.1021/ci900043r · 2009 · External reference
Alignment-free ultra-high-throughput comparison of druggable protein–ligand binding sites
10.1021/ci900349y · 2010 · External reference
Predicting ligand binding modes from neural networks trained on protein–ligand interaction fingerprints
10.1021/ci300200r · 2013 · External reference
Optimizing fragment and scaffold docking by use of molecular interaction fingerprints
10.1021/ci600342e · 2007 · External reference
sc-PDB: a database for identifying variations and multiplicity of “druggable” binding sites in proteins
10.1093/bioinformatics/btr120 · 2011 · External reference
Unresolved reference
2012 · External reference
10.1093/bioinformatics/bti623
10.1093/bioinformatics/bti623 · External reference
Unresolved reference
External reference
Generative Topographic Mapping (GTM): universal tool for data visualization, structure–activity modeling and dataset comparison
10.1002/minf.201100163 · 2012 · External reference
GTM-based classification models and their applicability domain: application to the Biopharmaceutics Drug Disposition Classification System (BDDCS)
10.1021/ci400423c · 2013 · External reference
10.5936/csbj.201302011 · 2013 · Admitted local publication
10.1016/s0022-2836(95)80037-9
10.1016/s0022-2836(95)80037-9 · External reference
