In Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal InjuryJOURNAL OF MEDICINAL CHEMISTRYIF6.82024-12-130PRE
Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal MelanomaJOURNAL OF MEDICINAL CHEMISTRYIF6.82024-01-102PRE
A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, Kp,uuJOURNAL OF CHEMICAL INFORMATION AND MODELINGIF5.32023-06-029OA
Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding KineticsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52022-02-2323OAAI
Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of CancerJOURNAL OF MEDICINAL CHEMISTRYIF6.82020-09-10131PREAI
Structure-Activity Relationship Evaluation of Wasp Toxin β-PMTX Leads to Analogs with Superior Activity for Human Neuronal Sodium ChannelsACS MEDICINAL CHEMISTRY LETTERSIF42019-10-251OAAI
Allosteric SHP2 phosphatase inhibition: Multiple mechanisms and chemotypesCANCER RESEARCHIF16.62019-07-010PRE
Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors (vol 62, pg 1781, 2019)JOURNAL OF MEDICINAL CHEMISTRYIF6.82019-03-221OAAI
6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors (vol 62, pg 1793, 2019)JOURNAL OF MEDICINAL CHEMISTRYIF6.82019-03-221OAAI
Optimization of Fused Bicyclic Allosteric SHP2 InhibitorsJOURNAL OF MEDICINAL CHEMISTRYIF6.82019-01-2872OAAI
6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 InhibitorsJOURNAL OF MEDICINAL CHEMISTRYIF6.82019-01-2875OAAI
Simultaneous inhibition of SHP2 phosphatase at two allosteric sitesCANCER RESEARCHIF16.62018-07-011PRE
The Discovery of (S)-1-(6-(34(4-(1-(Cyclopropanecarbonyl)piperidin-4-y1)-2-methylphenypamino)-2,3-dihydro-1H-inden-4-yl)pyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylic Acid, a Soluble Guanylate Cyclase Activator Specifically Designed for Topical Ocular Delivery as a Therapy for GlaucomaJOURNAL OF MEDICINAL CHEMISTRYIF6.82018-03-029PREAI
Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension ModelsJOURNAL OF MEDICINAL CHEMISTRYIF6.82017-08-0335OAAI
Conformational activation and allosteric inhibition of SHP2 in RTK-driven cancersCANCER RESEARCHIF16.62017-07-010PRE
Discovery and Characterization of Allosteric WNK Kinase InhibitorsACS CHEMICAL BIOLOGYIF3.82016-10-1935PREAI
Small-molecule WNK inhibition regulates cardiovascular and renal functionNATURE CHEMICAL BIOLOGYIF13.72016-09-05112PREAI
Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase InhibitorJOURNAL OF MEDICINAL CHEMISTRYIF6.82016-07-12248OAAI
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