Found: 47
Select item for more details and to access through your institution.
The Impact of the Secondary Binding Pocket on the Pharmacology of Class A GPCRs.
- Published in:
- Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.847788
- By:
- Publication type:
- Article
Next-Generation Heterocyclic Electrophiles as Small-Molecule Covalent MurA Inhibitors.
- Published in:
- Pharmaceuticals (14248247), 2022, v. 15, n. 12, p. 1484, doi. 10.3390/ph15121484
- By:
- Publication type:
- Article
Discovery of a Non-Nucleoside SETD2 Methyltransferase Inhibitor against Acute Myeloid Leukemia.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 18, p. 10055, doi. 10.3390/ijms221810055
- By:
- Publication type:
- Article
Small molecule inhibitors of RAS proteins with oncogenic mutations.
- Published in:
- Cancer & Metastasis Reviews, 2020, v. 39, n. 4, p. 1107, doi. 10.1007/s10555-020-09911-9
- By:
- Publication type:
- Article
Semisynthetic teicoplanin derivatives with dual antimicrobial activity against SARS-CoV-2 and multiresistant bacteria.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-20182-y
- By:
- Publication type:
- Article
PharmacoSTORM nanoscale pharmacology reveals cariprazine binding on Islands of Calleja granule cells.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-26757-z
- By:
- Publication type:
- Article
Exploring protein hotspots by optimized fragment pharmacophores.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-23443-y
- By:
- Publication type:
- Article
Consensus Virtual Screening Identified [1,2,4]Triazolo[1,5‐b]isoquinolines As MELK Inhibitor Chemotypes.
- Published in:
- ChemMedChem, 2022, v. 17, n. 2, p. 1, doi. 10.1002/cmdc.202100569
- By:
- Publication type:
- Article
Allosteric Molecular Switches in Metabotropic Glutamate Receptors.
- Published in:
- ChemMedChem, 2021, v. 16, n. 1, p. 81, doi. 10.1002/cmdc.202000444
- By:
- Publication type:
- Article
Front Cover: DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders (ChemMedChem 10/2019).
- Published in:
- ChemMedChem, 2019, v. 14, n. 10, p. 994, doi. 10.1002/cmdc.201900263
- By:
- Publication type:
- Article
DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders.
- Published in:
- ChemMedChem, 2019, v. 14, n. 10, p. 1011, doi. 10.1002/cmdc.201900078
- By:
- Publication type:
- Article
The Jak2 Small Molecule Inhibitor, G6, Reduces the Tumorigenic Potential of T98G Glioblastoma Cells <i>In Vitro</i> and <i>In Vivo</i>.
- Published in:
- PLoS ONE, 2014, v. 9, n. 8, p. 1, doi. 10.1371/journal.pone.0105568
- By:
- Publication type:
- Article
Convenient Multicomponent One‐Pot Synthesis of 2‐Iminothiazolines and 2‐Aminothiazoles Using Elemental Sulfur Under Aqueous Conditions.
- Published in:
- European Journal of Organic Chemistry, 2021, v. 2021, n. 25, p. 3587, doi. 10.1002/ejoc.202100548
- By:
- Publication type:
- Article
Molecular Mechanism of Labelling Functional Cysteines by Heterocyclic Thiones.
- Published in:
- ChemPhysChem, 2024, v. 25, n. 1, p. 1, doi. 10.1002/cphc.202300596
- By:
- Publication type:
- Article
Cover Feature: Chromatography‐Free Multicomponent Synthesis of Thioureas Enabled by Aqueous Solution of Elemental Sulfur (ChemistryOpen 1/2021).
- Published in:
- ChemistryOpen, 2021, v. 10, n. 1, p. 2, doi. 10.1002/open.202000355
- By:
- Publication type:
- Article
Chromatography‐Free Multicomponent Synthesis of Thioureas Enabled by Aqueous Solution of Elemental Sulfur.
- Published in:
- ChemistryOpen, 2021, v. 10, n. 1, p. 16, doi. 10.1002/open.202000250
- By:
- Publication type:
- Article
Identification of Novel Histamine H4 Ligands by Virtual Screening on Molecular Dynamics Ensembles.
- Published in:
- Molecular Informatics, 2014, v. 33, n. 4, p. 264, doi. 10.1002/minf.201300072
- By:
- Publication type:
- Article
Targeting STAT3 and STAT5 in Cancer.
- Published in:
- 2020
- By:
- Publication type:
- Editorial
Structural Implications of STAT3 and STAT5 SH2 Domain Mutations.
- Published in:
- Cancers, 2019, v. 11, n. 11, p. 1757, doi. 10.3390/cancers11111757
- By:
- Publication type:
- Article
Assessment of Tractable Cysteines for Covalent Targeting by Screening Covalent Fragments.
- Published in:
- ChemBioChem, 2021, v. 22, n. 4, p. 743, doi. 10.1002/cbic.202000700
- By:
- Publication type:
- Article
Heterocyclic electrophiles as new MurA inhibitors.
- Published in:
- Archiv der Pharmazie, 2018, v. 351, n. 12, p. 1, doi. 10.1002/ardp.201800184
- By:
- Publication type:
- Article
Identification of 8-Hydroxyquinoline Derivatives Active Against Somatic V658F Mutant JAK1-Dependent Cells.
- Published in:
- Archiv der Pharmazie, 2016, v. 349, n. 12, p. 925, doi. 10.1002/ardp.201600246
- By:
- Publication type:
- Article
Activation-Free Sulfonyl Fluoride Probes for Fragment Screening.
- Published in:
- Molecules, 2023, v. 28, n. 7, p. 3042, doi. 10.3390/molecules28073042
- By:
- Publication type:
- Article
Favipiravir for the treatment of COVID-19 in elderly patients—what do we know after 2 years of COVID-19?
- Published in:
- GeroScience, 2022, v. 44, n. 3, p. 1263, doi. 10.1007/s11357-022-00582-8
- By:
- Publication type:
- Article
The role of quantum chemistry in covalent inhibitor design.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26768
- By:
- Publication type:
- Article
Molecular similarity analysis on biologically active macrocyclic bis(bibenzyls).
- Published in:
- Journal of Molecular Recognition, 1996, v. 9, n. 2, p. 133, doi. 10.1002/(SICI)1099-1352(199603)9:2<133::AID-JMR254>3.0.CO;2-C
- By:
- Publication type:
- Article
WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 2, p. 223, doi. 10.1007/s10822-020-00371-5
- By:
- Publication type:
- Article
Large-scale evaluation of cytochrome P450 2C9 mediated drug interaction potential with machine learning-based consensus modeling.
- Published in:
- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 8, p. 831, doi. 10.1007/s10822-020-00308-y
- By:
- Publication type:
- Article
The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu<sub>5</sub> receptor case study.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 787, doi. 10.1007/s10822-019-00224-w
- By:
- Publication type:
- Article
Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 331, doi. 10.1007/s10822-018-0097-y
- By:
- Publication type:
- Article
Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 399, doi. 10.1007/s10822-010-9347-3
- By:
- Publication type:
- Article
Unusually large reactivity differences in the transformation of cyclopropane lactones to 1-aminocyclopropane-1-phosphonic acids and their carboxylic acid analogues.
- Published in:
- Heteroatom Chemistry, 2001, v. 12, n. 2, p. 90, doi. 10.1002/hc.5
- By:
- Publication type:
- Article
Fragment-Sized and Bidentate (Immuno)Proteasome Inhibitors Derived from Cysteine and Threonine Targeting Warheads.
- Published in:
- Cells (2073-4409), 2021, v. 10, n. 12, p. 3431, doi. 10.3390/cells10123431
- By:
- Publication type:
- Article
GproteinDb in 2024: new G protein-GPCR couplings, AlphaFold2-multimer models and interface interactions.
- Published in:
- Nucleic Acids Research, 2024, v. 52, n. D1, p. D466, doi. 10.1093/nar/gkad1089
- By:
- Publication type:
- Article
SH2db, an information system for the SH2 domain.
- Published in:
- Nucleic Acids Research, 2023, v. 51, n. W1, p. W542, doi. 10.1093/nar/gkad420
- By:
- Publication type:
- Article
GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources.
- Published in:
- Nucleic Acids Research, 2023, v. 51, n. D1, p. D395, doi. 10.1093/nar/gkac1013
- By:
- Publication type:
- Article
G protein database, GproteinDb.
- Published in:
- Nucleic Acids Research, 2022, v. 50, n. D1, p. D518, doi. 10.1093/nar/gkab852
- By:
- Publication type:
- Article
GPCRdb in 2021: integrating GPCR sequence, structure and function.
- Published in:
- Nucleic Acids Research, 2021, v. 49, n. D1, p. D335, doi. 10.1093/nar/gkaa1080
- By:
- Publication type:
- Article
Comparison of ab initio and density functional methods for vibrational analysis of TeCl<sub>4</sub>.
- Published in:
- Journal of Computational Chemistry, 1998, v. 19, n. 3, p. 308, doi. 10.1002/(SICI)1096-987X(199802)19:3<308::AID-JCC5>3.0.CO;2-X
- By:
- Publication type:
- Article
Continuous-Flow Synthesis of Thioureas, Enabled by Aqueous Polysulfide Solution.
- Published in:
- Molecules, 2021, v. 26, n. 2, p. 303, doi. 10.3390/molecules26020303
- By:
- Publication type:
- Article
Covalent Inhibition of the Histamine H3 Receptor.
- Published in:
- Molecules, 2019, v. 24, n. 24, p. 4541, doi. 10.3390/molecules24244541
- By:
- Publication type:
- Article
Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening.
- Published in:
- Molecules, 2019, v. 24, n. 14, p. 2590, doi. 10.3390/molecules24142590
- By:
- Publication type:
- Article
Synthesis and Biochemical Evaluation of Lid-Open d-Amino Acid Oxidase Inhibitors.
- Published in:
- Molecules, 2019, v. 24, n. 2, p. 290, doi. 10.3390/molecules24020290
- By:
- Publication type:
- Article
Spiro[pyrrolidine-3,3'-oxindoles] and Their Indoline Analogues as New 5-HT6 Receptor Chemotypes.
- Published in:
- Molecules, 2017, v. 22, n. 12, p. 2221, doi. 10.3390/molecules22122221
- By:
- Publication type:
- Article
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes.
- Published in:
- 2017
- By:
- Publication type:
- Abstract
Binding kinetics of cariprazine and aripiprazole at the dopamine D<sub>3</sub> receptor.
- Published in:
- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-30794-y
- By:
- Publication type:
- Article
Effect of An 84-bp Deletion of the Receptor-Binding Domain on the ACE2 Binding Affinity of the SARS-CoV-2 Spike Protein: An In Silico Analysis.
- Published in:
- Genes, 2021, v. 12, n. 2, p. 194, doi. 10.3390/genes12020194
- By:
- Publication type:
- Article