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References from TWN-RENCOD: A novel method for protein binding site comparison. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1016/j.jbc.2021.100559
10.1016/j.jbc.2021.100559 · External reference
A novel protein descriptor for the prediction of drug binding sites
10.1186/s12859-019-3058-0 · 2019 · External reference
PUResNet: prediction of protein-ligand binding sites using deep residual neural network
10.1186/s13321-021-00547-7 · 2021 · External reference
10.1021/acs.jmedchem.6b00078
10.1021/acs.jmedchem.6b00078 · External reference
Binding site characterization–similarity, promiscuity, and druggability
10.1039/c9md00102f · 2019 · External reference
Comparative assessment of strategies to identify similar ligand-binding pockets in proteins
10.1186/s12859-018-2109-2 · 2018 · External reference
10.4155/fmc.14.3
10.4155/fmc.14.3 · External reference
A benchmark driven guide to binding site comparison: an exhaustive evaluation using tailor-made data sets (ProSPECCTs)
10.1371/journal.pcbi.1006483 · 2018 · External reference
10.1002/minf.201300082
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Sunitinib: a newly approved small-molecule inhibitor of angiogenesis
10.1358/dot.2006.42.6.985633 · 2006 · External reference
10.1038/nbt.1990
10.1038/nbt.1990 · External reference
PocketMatch: a new algorithm to compare binding sites in protein structures
10.1186/1471-2105-9-543 · 2008 · External reference
ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment
10.1093/bioinformatics/btq100 · 2010 · External reference
IsoMIF Finder: online detection of binding site molecular interaction field similarities
10.1093/bioinformatics/btv616 · 2016 · External reference
10.1021/acs.chemrev.5b00664
10.1021/acs.chemrev.5b00664 · External reference
Water in protein hydration and ligand recognition
10.1002/jmr.2810 · 2019 · External reference
10.1016/j.molliq.2013.11.023
10.1016/j.molliq.2013.11.023 · External reference
Discovery of Tyk2 inhibitors via the virtual site-directed fragment-based drug design
10.1016/j.bmcl.2015.07.037 · 2015 · External reference
10.1016/j.molliq.2016.06.013
10.1016/j.molliq.2016.06.013 · External reference
10.3390/molecules23123136
10.3390/molecules23123136 · External reference
Small molecule inhibitors of DYRK1A identified by computational and experimental approaches
10.3390/ijms21186826 · 2020 · External reference
10.3390/molecules24152808
10.3390/molecules24152808 · External reference
10.3390/molecules24142653
10.3390/molecules24142653 · External reference
Computational insights into the role of α-strand/sheet in aggregation of α-synuclein
10.1038/s41598-018-37276-1 · 2019 · External reference
Boundary condition effects on the dynamic and electric properties of hydration layers
10.1021/jp511824t · 2015 · External reference
The geometry of protein hydration
10.1063/1.5026744 · 2018 · External reference
Modeling the hydration layer around proteins: applications to small-and wide-angle x-ray scattering
10.1016/j.bpj.2011.09.021 · 2011 · External reference
10.1073/pnas.0812413106
10.1073/pnas.0812413106 · External reference
Molecular conformations, interactions, and properties associated with drug efficiency and clinical performance among VEGFR TK inhibitors
10.1073/pnas.1207759109 · 2012 · External reference
Crystal structures of IL‐2‐inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation
10.1111/j.1747-0285.2010.00993.x · 2010 · External reference
Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation
10.1074/jbc.ac119.007466 · 2019 · External reference
Discovery of diverse small‐molecule inhibitors of mammalian sterile20‐like kinase 3 (MST3)
10.1002/cmdc.201600115 · 2016 · External reference
Substrate and inhibitor specificity of the type II p21-activated kinase, PAK6
10.1371/journal.pone.0077818 · 2013 · External reference
A novel approach to the discovery of small‐molecule ligands of CDK2
10.1002/cbic.201200316 · 2012 · External reference
10.1016/j.softx.2015.06.001 · Admitted local publication
Implementation of the CHARMM force field in GROMACS: analysis of protein stability effects from correction maps, virtual interaction sites, and water models
10.1021/ct900549r · 2010 · External reference
10.1063/1.445869
10.1063/1.445869 · External reference
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10.1063/1.2408420 · External reference
10.1080/00268978300102851
10.1080/00268978300102851 · External reference
10.1063/1.464397
10.1063/1.464397 · External reference
10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h
10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h · External reference
10.1093/nar/gkaa895
10.1093/nar/gkaa895 · External reference
10.1093/nar/22.22.4673
10.1093/nar/22.22.4673 · External reference
10.1371/journal.pone.0121945
10.1371/journal.pone.0121945 · External reference
