Works matching AU Abagyan, Ruben
Results: 129
Analysis of full and partial agonists binding to β.
- Published in:
- Journal of Molecular Recognition, 2009, v. 22, n. 4, p. 307, doi. 10.1002/jmr.949
- By:
- Publication type:
- Article
Prediction of the binding energy for small molecules, peptides and proteins.
- Published in:
- Journal of Molecular Recognition, 1999, v. 12, n. 3, p. 177, doi. 10.1002/(SICI)1099-1352(199905/06)12:3<177::AID-JMR451>3.0.CO;2-Z
- By:
- Publication type:
- Article
CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
- Published in:
- PLoS Neglected Tropical Diseases, 2017, v. 11, n. 12, p. 1, doi. 10.1371/journal.pntd.0006104
- By:
- Publication type:
- Article
Phenotypic, chemical and functional characterization of cyclic nucleotide phosphodiesterase 4 (PDE4) as a potential anthelmintic drug target.
- Published in:
- PLoS Neglected Tropical Diseases, 2017, v. 11, n. 7, p. 1, doi. 10.1371/journal.pntd.0005680
- By:
- Publication type:
- Article
Nilotinib, an approved leukemia drug, inhibits smoothened signaling in Hedgehog-dependent medulloblastoma.
- Published in:
- PLoS ONE, 2019, v. 14, n. 9, p. 1, doi. 10.1371/journal.pone.0214901
- By:
- Publication type:
- Article
Recommendations for Improving Methods and Models for Aquatic Hazard Assessment of Ionizable Organic Chemicals.
- Published in:
- Environmental Toxicology & Chemistry, 2020, v. 39, n. 2, p. 269, doi. 10.1002/etc.4602
- By:
- Publication type:
- Article
Identification and analysis of PH domain-containing targets of phosphatidylinositol 3-kinase using a novel in vivo assay in yeast.
- Published in:
- EMBO Journal, 1998, v. 17, n. 18, p. 5374, doi. 10.1093/emboj/17.18.5374
- By:
- Publication type:
- Article
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).
- Published in:
- FASEB Journal, 2008, v. 22, p. 333, doi. 10.1096/fasebj.22.2_supplement.333
- By:
- Publication type:
- Article
Probing the Activator Specificity of Rhodospirillum rubrum ADPGlucose Pyrophosphorylase.
- Published in:
- FASEB Journal, 2007, v. 21, n. 6, p. A1018, doi. 10.1096/fasebj.21.6.a1018-a
- By:
- Publication type:
- Article
Characterization of Thermus thermophilus ADPGlucose Pyrophosphorylase.
- Published in:
- FASEB Journal, 2007, v. 21, n. 5, p. A642, doi. 10.1096/fasebj.21.5.a642-d
- By:
- Publication type:
- Article
Match-Only Integral Distribution (MOID) Algorithm for high-density oligonucleotide array analysis.
- Published in:
- BMC Bioinformatics, 2002, v. 3, p. 3, doi. 10.1186/1471-2105-3-3
- By:
- Publication type:
- Article
Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015).
- Published in:
- Pure & Applied Chemistry, 2016, v. 88, n. 3, p. 239, doi. 10.1515/pac-2012-1204
- By:
- Publication type:
- Article
Structure of the human histamine H<sub>1</sub> receptor complex with doxepin.
- Published in:
- Nature, 2011, v. 475, n. 7354, p. 65, doi. 10.1038/nature10236
- By:
- Publication type:
- Article
In Silico Identification and Pharmacological Evaluation of Novel Endocrine Disrupting Chemicals That Act via the Ligand-Binding Domain of the Estrogen Receptor α.
- Published in:
- Toxicological Sciences, 2014, v. 141, n. 1, p. 188, doi. 10.1093/toxsci/kfu114
- By:
- Publication type:
- Article
Mtor inhibitors associated with higher cardiovascular adverse events—A large population database analysis.
- Published in:
- Clinical Transplantation, 2021, v. 35, n. 4, p. 1, doi. 10.1111/ctr.14228
- By:
- Publication type:
- Article
Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
- Published in:
- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-52141-5
- By:
- Publication type:
- Article
Retrospective analysis reveals significant association of hypoglycemia with tramadol and methadone in contrast to other opioids.
- Published in:
- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-48955-y
- By:
- Publication type:
- Article
High-quality and universal empirical atomic charges for chemoinformatics applications.
- Published in:
- Journal of Cheminformatics, 2015, v. 7, p. 1, doi. 10.1186/s13321-015-0107-1
- By:
- Publication type:
- Article
Predicting pK<sub>a</sub> values from EEM atomic charges.
- Published in:
- Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-18
- By:
- Publication type:
- Article
Quantum mechanics approaches to drug research in the era of structural chemogenomics.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 12, p. 1669, doi. 10.1002/qua.24400
- By:
- Publication type:
- Article
Structure-Based Discovery of Natural-Product-like TNF-α Inhibitors.
- Published in:
- Angewandte Chemie International Edition, 2010, v. 49, n. 16, p. 2860, doi. 10.1002/anie.200907360
- By:
- Publication type:
- Article
Inhibition of PDE5A1 guanosine cyclic monophosphate ( cGMP) hydrolysing activity by sildenafil analogues that inhibit cellular cGMP efflux.
- Published in:
- Journal of Pharmacy & Pharmacology, 2017, v. 69, n. 6, p. 675, doi. 10.1111/jphp.12693
- By:
- Publication type:
- Article
Transcriptome and binding data indicate that citral inhibits single strand DNA‐binding proteins.
- Published in:
- Physiologia Plantarum, 2020, v. 169, n. 1, p. 99, doi. 10.1111/ppl.13055
- By:
- Publication type:
- Article
Anti-TNF-α therapy induced psoriasis in rheumatoid arthritis patients according to FDA postmarketing surveillance data.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-37010-6
- By:
- Publication type:
- Article
Differential activities of maize plant elicitor peptides as mediators of immune signaling and herbivore resistance.
- Published in:
- Plant Journal, 2020, v. 104, n. 6, p. 1582, doi. 10.1111/tpj.15022
- By:
- Publication type:
- Article
Identifying Allosteric Small-Molecule Binding Sites of Inactive NS2B-NS3 Proteases of Pathogenic Flaviviridae.
- Published in:
- Viruses (1999-4915), 2025, v. 17, n. 1, p. 6, doi. 10.3390/v17010006
- By:
- Publication type:
- Article
Allosteric Inhibitors of Zika Virus NS2B-NS3 Protease Targeting Protease in "Super-Open" Conformation.
- Published in:
- Viruses (1999-4915), 2023, v. 15, n. 5, p. 1106, doi. 10.3390/v15051106
- By:
- Publication type:
- Article
The Liganding of Glycolipid Transfer Protein Is Controlled by Glycolipid Acyl Structure.
- Published in:
- PLoS Biology, 2006, v. 4, n. 11, p. 1996, doi. 10.1371/journal.pbio.0040362
- By:
- Publication type:
- Article
Druggable exosites of the human kino-pocketome.
- Published in:
- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 3, p. 219, doi. 10.1007/s10822-019-00276-y
- By:
- Publication type:
- Article
Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1057, doi. 10.1007/s10822-019-00225-9
- By:
- Publication type:
- Article
Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 1, p. 35, doi. 10.1007/s10822-018-0139-5
- By:
- Publication type:
- Article
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 1, p. 187, doi. 10.1007/s10822-017-0058-x
- By:
- Publication type:
- Article
Docking and scoring with ICM: the benchmarking results and strategies for improvement.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 6, p. 675, doi. 10.1007/s10822-012-9547-0
- By:
- Publication type:
- Article
Thyroid Hyperplasia and Neoplasm Adverse Events Associated With Glucagon-Like Peptide-1 Receptor Agonists in the Food and Drug Administration Adverse Event Reporting System: Retrospective Analysis.
- Published in:
- JMIRx Med, 2024, v. 5, p. 1, doi. 10.2196/55976
- By:
- Publication type:
- Article
Authors' Response to Peer Reviews of "Thyroid Hyperplasia and Neoplasm Adverse Events Associated With Glucagon-Like Peptide-1 Receptor Agonists in the Food and Drug Administration Adverse Event Reporting System: Retrospective Analysis".
- Published in:
- JMIRx Med, 2024, v. 5, p. 1, doi. 10.2196/58273
- By:
- Publication type:
- Article
The anthelmintic praziquantel is a human serotoninergic G-protein-coupled receptor ligand.
- Published in:
- Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-02084-0
- By:
- Publication type:
- Article
Structural basis of ligand interaction with atypical chemokine receptor 3.
- Published in:
- Nature Communications, 2017, v. 8, n. 1, p. 14135, doi. 10.1038/ncomms14135
- By:
- Publication type:
- Article
An electrostatic mechanism for Ca<sup>2+</sup>-mediated regulation of gap junction channels.
- Published in:
- Nature Communications, 2016, v. 7, n. 1, p. 8770, doi. 10.1038/ncomms9770
- By:
- Publication type:
- Article
Population Scale Retrospective Analysis Reveals Potential Risk of Cholestasis in Pregnant Women Taking Omeprazole, Lansoprazole, and Amoxicillin.
- Published in:
- Interdisciplinary Sciences: Computational Life Sciences, 2019, v. 11, n. 2, p. 273, doi. 10.1007/s12539-019-00335-w
- By:
- Publication type:
- Article
Antineoplastic kinase inhibitors: A new class of potent anti-amoebic compounds.
- Published in:
- PLoS Neglected Tropical Diseases, 2021, v. 15, n. 2, p. 1, doi. 10.1371/journal.pntd.0008425
- By:
- Publication type:
- Article
Adverse Effects of Cholinesterase Inhibitors in Dementia, According to the Pharmacovigilance Databases of the United-States and Canada.
- Published in:
- PLoS ONE, 2015, v. 10, n. 12, p. 1, doi. 10.1371/journal.pone.0144337
- By:
- Publication type:
- Article
Multi-center screening of the Pathogen Box collection for schistosomiasis drug discovery.
- Published in:
- Parasites & Vectors, 2019, v. 12, n. 1, p. N.PAG, doi. 10.1186/s13071-019-3747-6
- By:
- Publication type:
- Article
Homology modeling and ligand docking of Mitogen-activated protein kinase-activated protein kinase 5 (MK5).
- Published in:
- Theoretical Biology & Medical Modelling, 2013, v. 10, n. 1, p. 1, doi. 10.1186/1742-4682-10-56
- By:
- Publication type:
- Article
Postmarketing safety surveillance data reveals protective effects of botulinum toxin injections against incident anxiety.
- Published in:
- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-03713-x
- By:
- Publication type:
- Article
Common osteoporosis drug associated with increased rates of depression and anxiety.
- Published in:
- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-03214-x
- By:
- Publication type:
- Article
Myocarditis occurrence with cancer immunotherapy across indications in clinical trial and post-marketing data.
- Published in:
- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-96467-5
- By:
- Publication type:
- Article
Tyrosine Phosphorylation of the Gα-Interacting Protein GIV Promotes Activation of Phosphoinositide 3-Kinase During Cell Migration.
- Published in:
- Science Signaling, 2011, v. 4, n. 192, p. 1, doi. 10.1126/scisignal.2002049
- By:
- Publication type:
- Article
Structure-based Design, Synthesis, and Biological Evaluation of Isatin Derivatives as Potential Glycosyltransferase Inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2014, v. 84, n. 6, p. 685, doi. 10.1111/cbdd.12361
- By:
- Publication type:
- Article
Synthesis, Antidepressant Evaluation and Docking Studies of Long-Chain Alkylnitroquipazines as Serotonin Transporter Inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2013, v. 81, n. 6, p. 695, doi. 10.1111/cbdd.12116
- By:
- Publication type:
- Article
Mapping spatial approximations between the amino terminus of secretin and each of the extracellular loops of its receptor using cysteine trapping.
- Published in:
- FASEB Journal, 2012, v. 26, n. 12, p. 5092, doi. 10.1096/fj.12-212399
- By:
- Publication type:
- Article