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Multi-objective de novo drug design with conditional graph generative model.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0287-6
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- Publication type:
- Article
The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.
- Published in:
- PLoS ONE, 2017, v. 12, n. 2, p. 1, doi. 10.1371/journal.pone.0171433
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- Publication type:
- Article
Cyclic Adenosine 5′-Diphosphoribose (c ADPR) Mimics Used as Molecular Probes in Cell Signaling.
- Published in:
- Chemical Record, 2015, v. 15, n. 2, p. 511, doi. 10.1002/tcr.201402072
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- Publication type:
- Article
Solid-Phase Synthesis of Dipeptide-Conjugated Nucleosides and Their Interaction with RNA.
- Published in:
- Helvetica Chimica Acta, 2003, v. 86, n. 10, p. 3516
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- Publication type:
- Article
CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean.
- Published in:
- Nucleic Acids Research, 2021, v. 49, n. D1, p. D509, doi. 10.1093/nar/gkaa763
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- Publication type:
- Article
Design, Synthesis and Preliminary Biological Evaluation of Purine-2,6-diamine Derivatives as Cyclin-dependent Kinase (CDK) Inhibitors.
- Published in:
- Chinese Journal of Chemistry, 2013, v. 31, n. 9, p. 1181, doi. 10.1002/cjoc.201300420
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- Publication type:
- Article
Copper-Catalyzed Aerobic Oxidative Coupling of Aryl Acetaldehydes with Anilines Leading to α-Ketoamides.
- Published in:
- Angewandte Chemie International Edition, 2011, v. 50, n. 47, p. 11088, doi. 10.1002/anie.201105285
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- Publication type:
- Article
CHINESE LACQUERWARES FROM BEGRAM: DATE AND PROVENANCE.
- Published in:
- International Journal of Asian Studies, 2011, v. 8, n. 1, p. 1, doi. 10.1017/S1479591410000239
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- Publication type:
- Article
Identification of a small chemical as a lysosomal calcium mobilizer and characterization of its ability to inhibit autophagy and viral infection.
- Published in:
- FEBS Journal, 2023, v. 290, n. 22, p. 5353, doi. 10.1111/febs.16920
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- Publication type:
- Article
Calcium‐Mobilizing Behaviors of Neutral Cyclic ADP‐Ribose Mimics that Integrate Modifications to the Nucleobase, Northern Ribose and Pyrophosphate.
- Published in:
- ChemBioChem, 2018, v. 19, n. 13, p. 1444, doi. 10.1002/cbic.201800133
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- Publication type:
- Article
A pair of new elemanolide sesquiterpene lactones from Elephantopus scaber L.
- Published in:
- 2017
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- Publication type:
- Other
Identification and Structure-Activity Studies of 1,3-Dibenzyl-2-aryl imidazolidines as Novel Hsp90 Inhibitors.
- Published in:
- Molecules, 2019, v. 24, n. 11, p. 2105, doi. 10.3390/molecules24112105
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- Publication type:
- Article
Molecular Mechanism of Action of RORγt Agonists and Inverse Agonists: Insights from Molecular Dynamics Simulation.
- Published in:
- Molecules, 2018, v. 23, n. 12, p. 3181, doi. 10.3390/molecules23123181
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- Publication type:
- Article
Scale-Up Synthesis and Identification of GLYX-13, a NMDAR Glycine-Site Partial Agonist for the Treatment of Major Depressive Disorder.
- Published in:
- Molecules, 2018, v. 23, n. 5, p. 996, doi. 10.3390/molecules23050996
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- Publication type:
- Article
Discovery of N-(Naphtho[1,2-b]Furan-5-Yl) Benzenesulfonamides as Novel Selective Inhibitors of Triple-Negative Breast Cancer (TNBC).
- Published in:
- Molecules, 2018, v. 23, n. 3, p. 678, doi. 10.3390/molecules23030678
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- Publication type:
- Article
Identification of Novel Vacuolin-1 Analogues as Autophagy Inhibitors by Virtual Drug Screening and Chemical Synthesis.
- Published in:
- Molecules, 2017, v. 22, n. 6, p. 891, doi. 10.3390/molecules22060891
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- Publication type:
- Article
Discovery of potential xanthine oxidase inhibitors based on virtual screening.
- Published in:
- Journal of Chinese Pharmaceutical Sciences, 2023, v. 32, n. 8, p. 626, doi. 10.5246/jcps.2023.08.052
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- Publication type:
- Article
Evaluating reverse docking on general and selective inhibitors: a case study about glide.
- Published in:
- Journal of Chinese Pharmaceutical Sciences, 2020, v. 29, n. 10, p. 679, doi. 10.5246/jcps.2020.10.063
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- Publication type:
- Article
Structure-based design and biological evaluation of novel mTOR inhibitors as potential anti-cervical agents.
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- Journal of Chinese Pharmaceutical Sciences, 2020, v. 29, n. 9, p. 603, doi. 10.5246/jcps.2020.09.056
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- Publication type:
- Article
Designing natural product-like virtual libraries using deep molecule generative models.
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- Journal of Chinese Pharmaceutical Sciences, 2018, v. 27, n. 7, p. 451, doi. 10.5246/jcps.2018.07.046
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- Publication type:
- Article
International trade of lead for glazed tile production in ancient East Asia.
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- Archaeometry, 2024, v. 66, n. 1, p. 160, doi. 10.1111/arcm.12874
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- Publication type:
- Article
A scientific study of late Islamic blue‐white stonepaste wares of Iran.
- Published in:
- Archaeometry, 2022, v. 64, n. 5, p. 1110, doi. 10.1111/arcm.12765
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- Publication type:
- Article
Soviet inspiration in Chinese archaeology.
- Published in:
- Antiquity, 2011, v. 85, n. 329, p. 1049, doi. 10.1017/S0003598X00068484
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- Publication type:
- Article
Direct Transformation of Methyl Arenes to Aryl Nitriles at Room Temperature.
- Published in:
- Angewandte Chemie International Edition, 2009, v. 48, n. 38, p. 7094, doi. 10.1002/anie.200903838
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- Publication type:
- Article
Ligand-Free Pd-Catalyzed Highly Selective Arylation of Allylic Esters with Retention of the Traditional Leaving Group.
- Published in:
- Angewandte Chemie International Edition, 2008, v. 47, n. 25, p. 4729, doi. 10.1002/anie.200800966
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- Publication type:
- Article
Rational Design and Identification of Small‐Molecule Allosteric Inhibitors of CD38.
- Published in:
- ChemBioChem, 2019, v. 20, n. 19, p. 2485, doi. 10.1002/cbic.201900169
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- Publication type:
- Article
Multiple Oxidative Dehydrogenative Functionalization of Arylacetaldehydes Using Molecular Oxygen as Oxidant Leading to 2-Oxo-acetamidines.
- Published in:
- Advanced Synthesis & Catalysis, 2012, v. 354, n. 7, p. 1293, doi. 10.1002/adsc.201100892
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- Publication type:
- Article
Anticancer effects of combinational treatment with BRAF<sup>V600E</sup> siRNA and PI3K pathway inhibitors in melanoma cell lines harboring BRAF<sup>V600E</sup>.
- Published in:
- Oncology Letters, 2018, v. 16, n. 1, p. 632, doi. 10.3892/ol.2018.8614
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- Publication type:
- Article
Copper-Catalyzed Aerobic Oxidative Coupling of Aryl Acetaldehydes with Anilines Leading to α-Ketoamides.
- Published in:
- Angewandte Chemie, 2011, v. 123, n. 47, p. 11284, doi. 10.1002/ange.201105285
- By:
- Publication type:
- Article
Design, Synthesis and SAR Studies of NAD Analogues as Potent Inhibitors towards CD38 NADase.
- Published in:
- Molecules, 2014, v. 19, n. 10, p. 15754, doi. 10.3390/molecules191015754
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- Publication type:
- Article
Synthesis and Calcium Mobilization Activity of cADPR Analogues Which Integrate Nucleobase, Northern and Southern Ribose Modifications.
- Published in:
- Molecules, 2012, v. 17, n. 4, p. 4343, doi. 10.3390/molecules17044343
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- Publication type:
- Article
Synthesis and SAR Study of Novel Peptide Aldehydes as Inhibitors of 20S Proteasome.
- Published in:
- Molecules, 2011, v. 16, n. 9, p. 7551, doi. 10.3390/molecules16097551
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- Publication type:
- Article
Concise Syntheses of Trifluoromethylated Cyclic and Acyclic Analogues of cADPR.
- Published in:
- Molecules, 2010, v. 15, n. 12, p. 8689, doi. 10.3390/molecules15128689
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- Publication type:
- Article
Toll-Like Receptor 7 Agonists: Chemical Feature Based Pharmacophore Identification and Molecular Docking Studies.
- Published in:
- PLoS ONE, 2013, v. 8, n. 3, p. 1, doi. 10.1371/journal.pone.0056514
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- Publication type:
- Article
A Cell Permeable NPE Caged ADP-Ribose for Studying TRPM2.
- Published in:
- PLoS ONE, 2012, v. 7, n. 12, p. 1, doi. 10.1371/journal.pone.0051028
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- Publication type:
- Article
A unique ligand‐steered strategy for CC chemokine receptor 2 homology modeling to facilitate structure‐based virtual screening.
- Published in:
- Chemical Biology & Drug Design, 2021, v. 97, n. 4, p. 944, doi. 10.1111/cbdd.13820
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- Publication type:
- Article
Selective inhibition of TRPM2 channel by two novel synthesized ADPR analogues.
- Published in:
- Chemical Biology & Drug Design, 2018, v. 91, n. 2, p. 552, doi. 10.1111/cbdd.13119
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- Publication type:
- Article
Integrating Pharmacophore into Membrane Molecular Dynamics Simulations to Improve Homology Modeling of G Protein-coupled Receptors with Ligand Selectivity: A<sub>2A</sub> Adenosine Receptor as an Example.
- Published in:
- Chemical Biology & Drug Design, 2015, v. 86, n. 6, p. 1438, doi. 10.1111/cbdd.12607
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- Publication type:
- Article
Comparative Analysis of Pharmacophore Features and Quantitative Structure-Activity Relationships for CD38 Covalent and Non-covalent Inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2015, v. 86, n. 6, p. 1411, doi. 10.1111/cbdd.12606
- By:
- Publication type:
- Article
Enrichment Assessment of Multiple Virtual Screening Strategies for Toll-Like Receptor 8 Agonists Based on a Maximal Unbiased Benchmarking Data Set.
- Published in:
- Chemical Biology & Drug Design, 2015, v. 86, n. 5, p. 1226, doi. 10.1111/cbdd.12590
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- Publication type:
- Article
Computational Identification of a New Binding Site in Influenza Virus Hemagglutinin for Membrane Fusion Inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2013, v. 82, n. 3, p. 267, doi. 10.1111/cbdd.12156
- By:
- Publication type:
- Article
Indolizine Derivatives as HIV-1 VIF-Elongin C Interaction Inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2013, v. 81, n. 6, p. 730, doi. 10.1111/cbdd.12119
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- Publication type:
- Article
The Discovery of Novel Vascular Endothelial Growth Factor Receptor Tyrosine Kinases Inhibitors: Pharmacophore Modeling, Virtual Screening and Docking Studies.
- Published in:
- Chemical Biology & Drug Design, 2007, v. 69, n. 3, p. 204, doi. 10.1111/j.1747-0285.2007.00488.x
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- Publication type:
- Article
Koryŏ inlay celadon from Taicang Port of the Yuan Dynasty, China.
- Published in:
- Heritage Science, 2023, v. 11, n. 1, p. 1, doi. 10.1186/s40494-023-01089-x
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- Publication type:
- Article
Interregional and intraregional interaction of the Tianshanbeilu population in eastern Xinjiang from the perspective of pottery analysis.
- Published in:
- Heritage Science, 2023, v. 11, n. 1, p. 1, doi. 10.1186/s40494-023-01096-y
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- Publication type:
- Article
Challenging Reverse Screening: A Benchmark Study for Comprehensive Evaluation.
- Published in:
- Molecular Informatics, 2022, v. 41, n. 4, p. 1, doi. 10.1002/minf.202100063
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- Publication type:
- Article
Privileged Scaffold Analysis of Natural Products with Deep Learning-based Indication Prediction Model.
- Published in:
- Molecular Informatics, 2020, v. 39, n. 11, p. 1, doi. 10.1002/minf.202000057
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- Publication type:
- Article
Late Bronze Age metallurgy in Rudnyi Altai.
- Published in:
- Archaeological & Anthropological Sciences, 2022, v. 14, n. 8, p. 1, doi. 10.1007/s12520-022-01607-1
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- Publication type:
- Article
Covalent complexes of proteasome model with peptide aldehyde inhibitors MG132 and MG101: docking and molecular dynamics study.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 12, p. 1481, doi. 10.1007/s00894-009-0515-0
- By:
- Publication type:
- Article
Unfolding and Conformational Variations of Thrombin-Binding DNA Aptamers: Synthesis, Circular Dichroism and Molecular Dynamics Simulations.
- Published in:
- ChemMedChem, 2014, v. 9, n. 5, p. 993, doi. 10.1002/cmdc.201300564
- By:
- Publication type:
- Article