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Small molecules

Tool Compounds Robustly Increase Turnover of an Artificial Substrate by Glucocerebrosidase in Human Brain Lysates

Zdenek Berger, Sarah Perkins, [ ... ], Warren D. Hirst

SD-208, a Novel Protein Kinase D Inhibitor, Blocks Prostate Cancer Cell Proliferation and Tumor Growth In Vivo by Inducing G2/M Cell Cycle Arrest

Manuj Tandon, Joseph M. Salamoun, [ ... ], Q. Jane Wang

Identification of Potential Small Molecule Allosteric Modulator Sites on IL-1R1 Ectodomain Using Accelerated Conformational Sampling Method

Chao-Yie Yang

Global Analysis Reveals Families of Chemical Motifs Enriched for hERG Inhibitors

Fang Du, Joseph J. Babcock, [ ... ], Min Li

UFSRAT: Ultra-Fast Shape Recognition with Atom Types –The Discovery of Novel Bioactive Small Molecular Scaffolds for FKBP12 and 11βHSD1

Steven Shave, Elizabeth A. Blackburn, [ ... ], Malcolm D. Walkinshaw

Modeling Nociception in Zebrafish: A Way Forward for Unbiased Analgesic Discovery

Andrew Curtright, Micaela Rosser, [ ... ], Ajay Dhaka

Novel Anti-Nicotine Vaccine Using a Trimeric Coiled-Coil Hapten Carrier

Keith D. Miller, Richard Roque, Christopher H. Clegg

A Novel CMKLR1 Small Molecule Antagonist Suppresses CNS Autoimmune Inflammatory Disease

Kareem L. Graham, Jian V. Zhang, [ ... ], Brian A. Zabel

The Potent Cdc7-Dbf4 (DDK) Kinase Inhibitor XL413 Has Limited Activity in Many Cancer Cell Lines and Discovery of Potential New DDK Inhibitor Scaffolds

Nanda Kumar Sasi, Kanchan Tiwari, [ ... ], Michael Weinreich

Alzheimer's Therapeutics Targeting Amyloid Beta 1–42 Oligomers II: Sigma-2/PGRMC1 Receptors Mediate Abeta 42 Oligomer Binding and Synaptotoxicity

Nicholas J. Izzo, Jinbin Xu, [ ... ], Susan M. Catalano

Alzheimer's Therapeutics Targeting Amyloid Beta 1–42 Oligomers I: Abeta 42 Oligomer Binding to Specific Neuronal Receptors Is Displaced by Drug Candidates That Improve Cognitive Deficits

Nicholas J. Izzo, Agnes Staniszewski, [ ... ], Susan M. Catalano

A Physiologically-Motivated Compartment-Based Model of the Effect of Inhaled Hypertonic Saline on Mucociliary Clearance and Liquid Transport in Cystic Fibrosis

Matthew R. Markovetz, Timothy E. Corcoran, [ ... ], Robert S. Parker

Discovery and Characterization of a Potent and Selective Inhibitor of Aedes aegypti Inward Rectifier Potassium Channels

Rene Raphemot, Matthew F. Rouhier, [ ... ], Jerod S. Denton

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