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Top Articles

#TitleJournalYearCitations
1ANI-1: an extensible neural network potential with DFT accuracy at force field computational costChemical Science20171,111
2The promise and peril of chemical probesNature Chemical Biology2015698
3DREADDs (Designer Receptors Exclusively Activated by Designer Drugs): Chemogenetic Tools with Therapeutic UtilityAnnual Review of Pharmacology and Toxicology2015539
4An Orally Bioavailable Chemical Probe of the Lysine Methyltransferases EZH2 and EZH1ACS Chemical Biology2013399
5Crystal Structure of an LSD-Bound Human Serotonin ReceptorCell2017340
6Rho guanine nucleotide exchange factors: regulators of Rho GTPase activity in development and diseaseOncogene2014316
7QSAR-Based Virtual Screening: Advances and Applications in Drug DiscoveryFrontiers in Pharmacology2018291
8Discovery of an in Vivo Chemical Probe of the Lysine Methyltransferases G9a and GLPJournal of Medicinal Chemistry2013220
9High-Content Screening in hPSC-Neural Progenitors Identifies Drug Candidates that Inhibit Zika Virus Infection in Fetal-like Organoids and Adult BrainCell Stem Cell2017214
10Biased agonists of the kappa opioid receptor suppress pain and itch without causing sedation or dysphoriaScience Signaling2016170
11Discovery of a chemical probe for the L3MBTL3 methyllysine reader domainNature Chemical Biology2013160
12Curation of chemogenomics dataNature Chemical Biology2015158
13Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural networkScience Advances2019148
14Structural basis of nucleosome-dependent cGAS inhibitionScience2020139
15A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1Nature Chemical Biology2016133
16Degradation of Polycomb Repressive Complex 2 with an EED-Targeted Bivalent Chemical DegraderCell Chemical Biology2020127
17Screening Technologies for Small Molecule Discovery: The State of the ArtChemistry and Biology2014125
18UNC2025, a Potent and Orally Bioavailable MER/FLT3 Dual InhibitorJournal of Medicinal Chemistry2014125
19Trapping of Lipopolysaccharide to Promote Immunotherapy against Colorectal Cancer and Attenuate Liver MetastasisAdvanced Materials2018125
20Structural Insights into Thioether Bond Formation in the Biosynthesis of SactipeptidesJournal of the American Chemical Society2017119
21Structure–Functional Selectivity Relationship Studies of β-Arrestin-Biased Dopamine D2 Receptor AgonistsJournal of Medicinal Chemistry2012118
22Chemoenzymatic Synthesis of Thiazolyl Peptide Natural Products Featuring an Enzyme-Catalyzed Formal [4 + 2] CycloadditionJournal of the American Chemical Society2015113
23Dithiolopyrrolones: biosynthesis, synthesis, and activity of a unique class of disulfide-containing antibioticsNatural Product Reports2014110
24Local Blockade of Interleukin 10 and C-X-C Motif Chemokine Ligand 12 with Nano-Delivery Promotes Antitumor Response in Murine CancersACS Nano2018101
25Mapping allosteric communications within individual proteinsNature Communications2020101
26Thiolutin is a zinc chelator that inhibits the Rpn11 and other JAMM metalloproteasesNature Chemical Biology201795
27Visible Light Mediated Activation and O-Glycosylation of ThioglycosidesOrganic Letters201382
28Discovery of a Selective, Substrate-Competitive Inhibitor of the Lysine Methyltransferase SETD8Journal of Medicinal Chemistry201481
29Donated chemical probes for open scienceELife201880
30Evidence for dynamics in proteins as a mechanism for ligand dissociationNature Chemical Biology201279
31Telomere Maintenance as a Target for Drug DiscoveryJournal of Medicinal Chemistry201479
32Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics ApproachesPharmaceutical Research201476
33Principles of nucleosome recognition by chromatin factors and enzymesCurrent Opinion in Structural Biology202173
34Discovery of Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic LeukemiaACS Medicinal Chemistry Letters201267
35Small-Molecule Ligands of Methyl-Lysine Binding Proteins: Optimization of Selectivity for L3MBTL3Journal of Medicinal Chemistry201366
36An inflammatory-CCRK circuitry drives mTORC1-dependent metabolic and immunosuppressive reprogramming in obesity-associated hepatocellular carcinomaNature Communications201866
37Exploiting an Allosteric Binding Site of PRMT3 Yields Potent and Selective InhibitorsJournal of Medicinal Chemistry201364
38The Lipid Kinase PIP5K1C Regulates Pain Signaling and SensitizationNeuron201464
39QSAR Modeling of Tox21 Challenge Stress Response and Nuclear Receptor Signaling Toxicity AssaysFrontiers in Environmental Science201663
40P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing ThiopeptidesACS Chemical Biology201763
41Supertertiary Structure of the MAGUK Core from PSD-95Structure201361
42mRNA Delivery of a Bispecific Single‐Domain Antibody to Polarize Tumor‐Associated Macrophages and Synergize Immunotherapy against Liver MalignanciesAdvanced Materials202161
43Early-life exposure to the SSRI paroxetine exacerbates depression-like behavior in anxiety/depression-prone ratsNeuroscience201560
44Assessing the Cell Permeability of Bivalent Chemical Degraders Using the Chloroalkane Penetration AssayACS Chemical Biology202060
45Determination of Structures and Energetics of Small- and Medium-Sized One-Carbon-Bridged Twisted Amides using ab Initio Molecular Orbital Methods: Implications for Amidic Resonance along the C–N Rotational PathwayJournal of Organic Chemistry201559
46Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3Nature Chemical Biology201959
47Mucosal-associated invariant and γδ T cell subsets respond to initial Mycobacterium tuberculosis infectionJCI Insight201859
48UNC1062, a new and potent Mer inhibitorEuropean Journal of Medicinal Chemistry201358
49Identification of a Fragment-like Small Molecule Ligand for the Methyl-lysine Binding Protein, 53BP1ACS Chemical Biology201556
50SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK)Journal of Medicinal Chemistry201956