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ESTIMATION OF KINETIC PARAMETER FOR THE BIOTRANSFORMATION OF THREE-RING AZAARENES BY THE PHENANTHRENE-DEGRADING STRAIN SPHINGOMONAS SP. LH128.
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- Environmental Toxicology & Chemistry, 2004, v. 23, n. 2, p. 331, doi. 10.1897/03-147
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- Article
Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks.
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- PLoS Computational Biology, 2023, v. 19, n. 9, p. 1, doi. 10.1371/journal.pcbi.1011301
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- Article
Conformational states of the full-length glucagon receptor.
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- Nature Communications, 2015, v. 6, n. 7, p. 7859, doi. 10.1038/ncomms8859
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- Article
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.
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- Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00861-w
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- Article
3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery.
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- ChemMedChem, 2018, v. 13, n. 6, p. 614, doi. 10.1002/cmdc.201700754
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- Article
SAR exploration of the non‐imidazole histamine H<sub>3</sub> receptor ligand ZEL‐H16 reveals potent inverse agonism.
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- Archiv der Pharmazie, 2023, v. 356, n. 1, p. 1, doi. 10.1002/ardp.202200451
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- Article
Dynamic tuneable G protein-coupled receptor monomer-dimer populations.
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- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-03727-6
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- Article
Structure of the human glucagon class B G-protein-coupled receptor.
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- Nature, 2013, v. 499, n. 7459, p. 444, doi. 10.1038/nature12393
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- Article
Function-specific virtual screening for GPCR ligands using a combined scoring method.
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- Scientific Reports, 2016, p. 28288, doi. 10.1038/srep28288
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- Article
Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening.
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- Biomolecules (2218-273X), 2021, v. 11, n. 7, p. 929, doi. 10.3390/biom11070929
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- Article
Editorial: Peptide-binding GPCRs coming of age.
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- Frontiers in Endocrinology, 2023, p. 1, doi. 10.3389/fendo.2023.1189508
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- Article
Combining Quantum Mechanical Ligand Conformation Analysis and Protein Modeling to Elucidate GPCR-Ligand Binding Modes.
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- ChemMedChem, 2013, v. 8, n. 1, p. 49, doi. 10.1002/cmdc.201200412
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- Article
Structure-Based Discovery of Allosteric Modulators of Two Related Class B G-Protein-Coupled Receptors.
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- ChemMedChem, 2011, v. 6, n. 12, p. 2159, doi. 10.1002/cmdc.201100317
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- Article
Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening.
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- Proteins, 2008, v. 71, n. 2, p. 599, doi. 10.1002/prot.21724
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- Article
KLIFS: an overhaul after the first 5 years of supporting kinase research.
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- Nucleic Acids Research, 2021, v. 49, n. D1, p. D562, doi. 10.1093/nar/gkaa895
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- Article
KLIFS: a structural kinase-ligand interaction database.
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- Nucleic Acids Research, 2016, v. 44, n. 1, p. D365, doi. 10.1093/nar/gkv1082
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- Article
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation.
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- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00646-z
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- Article
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.
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- Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00516-0
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- Article
A Gold Coordination Compound as a Chemical Probe to Unravel Aquaporin-7 Function.
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- ChemBioChem, 2014, v. 15, n. 10, p. 1487, doi. 10.1002/cbic.201402103
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- Article
Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations.
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- European Biophysics Journal, 2007, v. 36, n. 6, p. 589, doi. 10.1007/s00249-006-0126-y
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- Article
In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions.
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- Pharmaceuticals (14248247), 2011, v. 4, n. 9, p. 1196, doi. 10.3390/ph4091196
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- Article
The Viral G Protein-Coupled Receptor ORF74 Hijacks β-Arrestins for Endocytic Trafficking in Response to Human Chemokines.
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- PLoS ONE, 2015, v. 10, n. 4, p. 1, doi. 10.1371/journal.pone.0124486
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- Article
Diazepam-bound GABA<sub>A</sub> receptor models identify new benzodiazepine binding-site ligands.
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- Nature Chemical Biology, 2012, v. 8, n. 5, p. 455, doi. 10.1038/nchembio.917
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- Article