Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

Christina Schindler, Hannah M. Baumann, Andreas Blum, +34

Journal of Chemical Information and Modeling

Ability of Bruton’s Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling

Andrew T. Bender, A.S. Gardberg, Albertina Pereira, +7

Molecular Pharmacology

Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton’s Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases

Richard D. Caldwell, Hui Qiu, Ben Askew, +30

Journal of Medicinal Chemistry

Novel TherapyMedicineTyrosine KinaseHighly SelectiveImmunology +12

Structure of the Catalytic Domain of Human Polo-like Kinase 1^,

Michael Kothe, Darcy Kohls, Simon Low, +12

Biochemistry

Catalytic DomainMolecular BiologyChemical BiologyTumor BiologySignaling Pathway +17

Discovery of M5049: A Novel Selective Toll-Like Receptor 7/8 Inhibitor for Treatment of Autoimmunity

Jaromir Vlach, Andrew T. Bender, Melinda Przetak, +11

Journal of Pharmacology and Experimental Therapeutics

Structure−Activity Relationships of the Antimalarial Agent Artemisinin. 5. Analogs of 10-Deoxoartemisinin Substituted at C-3 and C-9

Mitchell A. Avery, Sanjiv Mehrotra, Theresa Johnson, +3

Journal of Medicinal Chemistry

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

Christina Schindler, H Baumann, Andreas Blum, +34

Drug TargetEngineeringHit IdentificationBiochemistryMedicine +12

Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies

Ulrich Grädler, Dániel Schwarz, M. Blaesse, +9

Bioorganic & Medicinal Chemistry Letters

Combinatorial ChemistryMedicinal ChemistryBioorganic ChemistryBiochemistryNatural Sciences +8

Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit

Hui Qiu, Lesley Liu‐Bujalski, Richard D. Caldwell, +11

Bioorganic & Medicinal Chemistry Letters

Combinatorial ChemistryMedicinal ChemistryDrug TargetNatural SciencesMedicine +5

Critic, compatriot, or chump?

Victoria Groom, Jimmy Chen, Theresa Johnson, +2

Proceeding of the 5th ACM/IEEE international conference on Human-robot interaction - HRI '10

Team Blame RobotsSocial CriticismBehavioral Decision MakingSocial PsychologySocially Assistive Robot +20