about
Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiencyDiscovery of an allosteric mechanism for the regulation of HCV NS3 protein functionCrystal Structure of Human Soluble Adenylate Cyclase Reveals a Distinct, Highly Flexible Allosteric Bicarbonate Binding PocketExploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment ScreeningEfficient exploration of chemical space by fragment-based screening.Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.Comparing protein-ligand docking programs is difficult.Predicting "Hot" and "Warm" Spots for Fragment Binding.The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database.Validity of ligand efficiency metrics.Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.Fragment-to-Lead Medicinal Chemistry Publications in 2015.Fragment-based lead discovery using X-ray crystallography.Modeling water molecules in protein-ligand docking using GOLD.Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.Docking performance of fragments and druglike compounds.Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor.Opportunity Knocks: Organic Chemistry for Fragment-Based Drug Discovery (FBDD)Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design
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description
investigador
@es
researcher
@en
name
Christopher W Murray
@en
type
label
Christopher W Murray
@en
prefLabel
Christopher W Murray
@en
P31
P496
0000-0003-3733-0700