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Cannabinoid-Inspired Inhibitors of the SARS-CoV-2 Coronavirus 2′- O -Methyltransferase (2′- O -MTase) Non-Structural Protein (Nsp10–16).
- Published in:
- Molecules, 2024, v. 29, n. 21, p. 5081, doi. 10.3390/molecules29215081
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- Publication type:
- Article
Enantioselective Interactions of Anti-Infective 8-Aminoquinoline Therapeutics with Human Monoamine Oxidases A and B †.
- Published in:
- Pharmaceuticals (14248247), 2021, v. 14, n. 5, p. 398, doi. 10.3390/ph14050398
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- Publication type:
- Article
Validated determination of NRG1 Ig-like domain structure by mass spectrometry coupled with computational modeling.
- Published in:
- Communications Biology, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42003-022-03411-y
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- Publication type:
- Article
ROS‐Responsive Glycopolymeric Nanoparticles for Enhanced Drug Delivery to Macrophages.
- Published in:
- Macromolecular Bioscience, 2022, v. 22, n. 12, p. 1, doi. 10.1002/mabi.202200281
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- Publication type:
- Article
Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β.
- Published in:
- Molecular Informatics, 2014, v. 33, n. 9, p. 610, doi. 10.1002/minf.201400044
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- Publication type:
- Article
Quantitative Structure-Activity Relationship Analysis and a Combined Ligand-Based/Structure-Based Virtual Screening Study for Glycogen Synthase Kinase-3.
- Published in:
- Molecular Informatics, 2014, v. 33, n. 9, p. 627, doi. 10.1002/minf.201400045
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- Publication type:
- Article
Drug activity prediction using multiple-instance learning via joint instance and feature selection.
- Published in:
- BMC Bioinformatics, 2013, v. 14, n. Suppl 14, p. 1, doi. 10.1186/1471-2105-14-S14-S16
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- Publication type:
- Article
Implementation of multiple-instance learning in drug activity prediction.
- Published in:
- BMC Bioinformatics, 2012, v. 13, n. Suppl 15, p. 1, doi. 10.1186/1471-2105-13-S15-S3
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- Publication type:
- Article
Leveraging domain information to restructure biological prediction.
- Published in:
- BMC Bioinformatics, 2011, v. 12, n. Suppl 10, p. 1, doi. 10.1186/1471-2105-12-S10-S22
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- Publication type:
- Article
Docking and Molecular Dynamics Simulations Clarify Binding Sites for Interactions of Novel Marine Sulfated Glycans with SARS-CoV-2 Spike Glycoprotein.
- Published in:
- Molecules, 2023, v. 28, n. 17, p. 6413, doi. 10.3390/molecules28176413
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- Publication type:
- Article
Identification of the Putative Binding Site of a Benzimidazole Opioid (Etazene) and Its Metabolites at µ-Opioid Receptor: A Human Liver Microsomal Assay and Systematic Computational Study.
- Published in:
- Molecules, 2023, v. 28, n. 4, p. 1601, doi. 10.3390/molecules28041601
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- Publication type:
- Article
In Vitro and In Silico Studies of Neolignans from Magnolia grandiflora L. Seeds against Human Cannabinoids and Opioid Receptors.
- Published in:
- Molecules, 2023, v. 28, n. 3, p. 1253, doi. 10.3390/molecules28031253
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- Publication type:
- Article
Applying Molecular Modeling to Predict Novel FmlH-Binding Glycomimetics with Improved Pharmacokinetic Properties for the Prevention of Urinary Tract Infections.
- Published in:
- Applied Sciences (2076-3417), 2024, v. 14, n. 20, p. 9496, doi. 10.3390/app14209496
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- Publication type:
- Article
Identifying p56 lck SH2 Domain Inhibitors Using Molecular Docking and In Silico Scaffold Hopping.
- Published in:
- Applied Sciences (2076-3417), 2024, v. 14, n. 10, p. 4277, doi. 10.3390/app14104277
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- Publication type:
- Article
Polarizabilities of heteroaromatic molecules: Azines revisited.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 7, p. 1633, doi. 10.1002/(SICI)1097-461X(1996)60:7<1633::AID-QUA45>3.0.CO;2-#
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- Publication type:
- Article
Controlling the Conformation of Arylamides: Computational Studies of Intramolecular Hydrogen Bonds between Amides and Ethers or Thioethers.
- Published in:
- Chemistry - A European Journal, 2004, v. 10, n. 20, p. 5008, doi. 10.1002/chem.200400176
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- Publication type:
- Article
Nontoxic Membrane-Active Antimicrobial Arylamide Oligomers ( We thank the NIH BECON program and PolyMedix. Inc. for financial support. ).
- Published in:
- Angewandte Chemie, 2004, v. 116, n. 9, p. 1178, doi. 10.1002/ange.200352791
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- Publication type:
- Article
Titelbild: Nontoxic Membrane-Active Antimicrobial Arylamide Oligomers (Angew. Chem. 9/2004).
- Published in:
- Angewandte Chemie, 2004, v. 116, n. 9, p. 1051, doi. 10.1002/ange.200490021
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- Publication type:
- Article
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 2, p. 113, doi. 10.1007/s10822-008-9244-1
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- Publication type:
- Article
Editorial: Big data and artificial intelligence for genomics and therapeutics - Proceedings of the 19th Annual Meeting of the MidSouth Computational Biology and Bioinformatics Society (MCBIOS).
- Published in:
- Frontiers in Bioinformatics, 2024, p. 01, doi. 10.3389/fbinf.2024.1470107
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- Publication type:
- Article
Quinone propionic acid-based redox-triggered polymer nanoparticles for drug delivery: Computational analysis and in vitro evaluation.
- Published in:
- Journal of Applied Polymer Science, 2014, v. 131, n. 13, p. n/a, doi. 10.1002/app.40461
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- Publication type:
- Article
Nontoxic Membrane-Active Antimicrobial Arylamide Oligomers ( We thank the NIH BECON program and PolyMedix. Inc. for financial support. ).
- Published in:
- Angewandte Chemie International Edition, 2004, v. 43, n. 9, p. 1158, doi. 10.1002/anie.200352791
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- Publication type:
- Article
Cover Picture: Nontoxic Membrane-Active Antimicrobial Arylamide Oligomers (Angew. Chem. Int. Ed. 9/2004).
- Published in:
- Angewandte Chemie International Edition, 2004, v. 43, n. 9, p. 1033, doi. 10.1002/anie.200490021
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- Publication type:
- Article
Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1945, doi. 10.1002/jcc.20960
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- Publication type:
- Article
AdipoRon, an Orally Active, Synthetic Agonist of AdipoR1 and AdipoR2 Receptors Has Gastroprotective Effect in Experimentally Induced Gastric Ulcers in Mice.
- Published in:
- Molecules, 2021, v. 26, n. 10, p. 2946, doi. 10.3390/molecules26102946
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- Publication type:
- Article
Selective Interactions of O -Methylated Flavonoid Natural Products with Human Monoamine Oxidase-A and -B.
- Published in:
- Molecules, 2020, v. 25, n. 22, p. 5358, doi. 10.3390/molecules25225358
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- Publication type:
- Article
Computational Drug Design Applied to the Study of Metabotropic Glutamate Receptors.
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- Molecules, 2019, v. 24, n. 6, p. 1098, doi. 10.3390/molecules24061098
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- Publication type:
- Article
Selective Inhibition of Human Monoamine Oxidase B by Acacetin 7-Methyl Ether Isolated from Turnera diffusa (Damiana).
- Published in:
- Molecules, 2019, v. 24, n. 4, p. 810, doi. 10.3390/molecules24040810
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- Publication type:
- Article
Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists.
- Published in:
- Molecules, 2018, v. 23, n. 10, p. 2630, doi. 10.3390/molecules23102630
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- Publication type:
- Article
Computational model of hepatitis B virus DNA polymerase: Molecular dynamics and docking to understand resistant mutations.
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- Protein Science: A Publication of the Protein Society, 2010, v. 19, n. 4, p. 796, doi. 10.1002/pro.359
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- Publication type:
- Article
Discovery of a lectin domain that regulates enzyme activity in mouse N-acetylglucosaminyltransferase-IVa (MGAT4A).
- Published in:
- Communications Biology, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42003-022-03661-w
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- Publication type:
- Article
Bond orders in heteroaromatic rings.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 90, n. 2, p. 534, doi. 10.1002/qua.998
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- Publication type:
- Article
Salvindolin elicits opioid system-mediated antinociceptive and antidepressant-like activities.
- Published in:
- 2019
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- Publication type:
- journal article