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References from CSAlign and CSAlign-Dock: Structure alignment of ligands considering full flexibility and application to protein–ligand docking. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1007/s12272-015-0640-5
10.1007/s12272-015-0640-5 · External reference
10.1038/s41586-021-03819-2
10.1038/s41586-021-03819-2 · External reference
10.1126/science.abj8754
10.1126/science.abj8754 · External reference
10.3390/ijms20112783
10.3390/ijms20112783 · External reference
Prediction of protein structure and interaction by GALAXY protein modeling programs
2014 · External reference
10.1002/prot.26257
10.1002/prot.26257 · External reference
10.3390/molecules190710150
10.3390/molecules190710150 · External reference
Accurate protein structure prediction: what comes next?
10.34184/kssb.2021.9.3.47 · 2021 · External reference
10.1002/prot.21082
10.1002/prot.21082 · External reference
10.1002/cmdc.201500086
10.1002/cmdc.201500086 · External reference
ATPdock: a template-based method for ATP-specific protein–ligand docking
10.1093/bioinformatics/btab667 · 2022 · External reference
Dissimilar ligands bind in a similar fashion: a guide to ligand binding-mode prediction with application to CELPP studies
2021 · External reference
Predicting protein-ligand binding modes for CELPP and GC3: workflows and insight
10.1007/s10822-019-00185-0 · 2019 · External reference
Binding mode information improves fragment docking
10.1186/s13321-019-0346-7 · 2019 · External reference
10.1093/bib/bbab231
10.1093/bib/bbab231 · External reference
10.1007/s00044-014-1072-3
10.1007/s00044-014-1072-3 · External reference
LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening
10.1093/bioinformatics/bty081 · 2018 · External reference
SHAFTS: a hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening
10.1021/ci200060s · 2011 · External reference
LIGSIFT: an open-source tool for ligand structural alignment and virtual screening
10.1093/bioinformatics/btu692 · 2015 · External reference
10.1021/ci800315d
10.1021/ci800315d · External reference
GalaxyDock3: protein-ligand docking that considers the full ligand conformational flexibility
10.1002/jcc.26050 · 2019 · External reference
10.1107/s2052520616003954
10.1107/s2052520616003954 · External reference
10.1093/nar/gks966
10.1093/nar/gks966 · External reference
10.1002/prot.23101
10.1002/prot.23101 · External reference
LigDockCSA: protein–ligand docking using conformational space annealing
10.1002/jcc.21905 · 2011 · External reference
GalaxyDock: protein-ligand docking with flexible protein side-chains
10.1021/ci300342z · 2012 · External reference
Protein loop modeling using a new hybrid energy function and its application to modeling in inaccurate structural environments
10.1371/journal.pone.0113811 · 2014 · External reference
GalaxyGPCRloop: Template-based and Ab initio structure sampling of the extracellular loops of G-Protein-Coupled receptors
10.1021/acs.jcim.8b00148 · 2018 · External reference
A semiempirical free energy force field with charge-based desolvation
10.1002/jcc.20634 · 2007 · External reference
10.1002/jcc.21367
10.1002/jcc.21367 · External reference
10.1023/a:1016357811882
10.1023/a:1016357811882 · External reference
10.1006/jmbi.1999.3371
10.1006/jmbi.1999.3371 · External reference
Rapid shape-based ligand alignment and virtual screening method based on atom/feature-pair similarities and volume overlap scoring
10.1021/ci2002704 · 2011 · External reference
10.1093/bioinformatics/btu626
10.1093/bioinformatics/btu626 · External reference
10.1093/nar/gki524
10.1093/nar/gki524 · External reference
Automatic generation of 3D-atomic coordinates for organic molecules
10.1016/0898-5529(90)90156-3 · 1990 · External reference
Open babel: an open chemical toolbox
10.1186/1758-2946-3-33 · 2011 · External reference
10.1002/jcc.20084
10.1002/jcc.20084 · External reference
10.1002/jcc.21334
10.1002/jcc.21334 · External reference
10.1002/cmdc.201500479
10.1002/cmdc.201500479 · External reference
10.1021/jm401333u
10.1021/jm401333u · External reference
10.1002/prot.22488
10.1002/prot.22488 · External reference
10.1021/acs.jctc.0c01184
10.1021/acs.jctc.0c01184 · External reference
