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Small molecules

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

Plk1 Inhibition Causes Post-Mitotic DNA Damage and Senescence in a Range of Human Tumor Cell Lines

Denise L. Driscoll, Arijit Chakravarty, [ ... ], Marc L. Hyer

Identification of a Novel Drug Lead That Inhibits HCV Infection and Cell-to-Cell Transmission by Targeting the HCV E2 Glycoprotein

Reem R. Al Olaby, Laurence Cocquerel, [ ... ], Hassan M. Azzazy

Molecular Insights into the Interaction between Plasmodium falciparum Apical Membrane Antigen 1 and an Invasion-Inhibitory Peptide

Geqing Wang, Christopher A. MacRaild, [ ... ], Martin J. Scanlon

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