Published in J Med Chem on June 06, 2002
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Correction of the F508del-CFTR protein processing defect in vitro by the investigational drug VX-809. Proc Natl Acad Sci U S A (2011) 3.87
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Discovery of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, ivacaftor), a potent and orally bioavailable CFTR potentiator. J Med Chem (2014) 1.43
Functional characterization of FLT3 receptor signaling deregulation in acute myeloid leukemia by single cell network profiling (SCNP). PLoS One (2010) 1.36
Active learning with support vector machines in the drug discovery process. J Chem Inf Comput Sci (2003) 1.31
Performance of 3D-database molecular docking studies into homology models. J Med Chem (2004) 1.23
Single-cell network profiling of peripheral blood mononuclear cells from healthy donors reveals age- and race-associated differences in immune signaling pathway activation. J Immunol (2012) 1.10
A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein. J Med Chem (2002) 1.09
Functional pathway analysis in acute myeloid leukemia using single cell network profiling assay: effect of specimen source (bone marrow or peripheral blood) on assay readouts. Cytometry B Clin Cytom (2012) 1.08
Distinct patterns of DNA damage response and apoptosis correlate with Jak/Stat and PI3kinase response profiles in human acute myelogenous leukemia. PLoS One (2010) 1.08
High-throughput virtual screening of proteins using GRID molecular interaction fields. J Chem Inf Model (2010) 0.93
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Building predictive ADMET models for early decisions in drug discovery. Curr Opin Drug Discov Devel (2004) 0.85
Predicting kinase selectivity profiles using Free-Wilson QSAR analysis. J Chem Inf Model (2008) 0.84
High throughput P450 inhibition screens in early drug discovery. Drug Discov Today (2005) 0.84
Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. J Med Chem (2015) 0.84
Progress in computational methods for the prediction of ADMET properties. Curr Opin Drug Discov Devel (2002) 0.84
Using ensembles to classify compounds for drug discovery. J Chem Inf Comput Sci (2003) 0.82
Improved nucleic acid descriptors for siRNA efficacy prediction. Nucleic Acids Res (2012) 0.81
Comparing performance of computational tools for combinatorial library design. J Med Chem (2003) 0.80
Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design. J Mol Graph Model (2002) 0.80
Functional pathway analysis using SCNP of FLT3 receptor pathway deregulation in AML provides prognostic information independent from mutational status. PLoS One (2013) 0.79
Unique overlap in the prerequisites for thrombin inhibition and oral bioavailability resulting in potent oral antithrombotics. J Med Chem (2002) 0.79
Efficient screening of cytochrome P450 BM3 mutants for their metabolic activity and diversity toward a wide set of drug-like molecules in chemical space. Drug Metab Dispos (2011) 0.79
Facile synthesis of substituted 5-amino- and 3-amino-1,2,4-thiadiazoles from a common precursor. Org Lett (2009) 0.79
Predicting passive transport in silico--history, hype, hope. Curr Top Med Chem (2003) 0.79
Water-soluble molecular capsules: self-assembly and binding properties. Chemistry (2004) 0.79
Application of Free-Wilson selectivity analysis for combinatorial library design. Methods Mol Biol (2011) 0.78
Molecular dynamics simulation and binding energy calculation for estimation of oligonucleotide duplex thermostability in RNA-based therapeutics. J Chem Inf Model (2011) 0.77
Informative library design as an efficient strategy to identify and optimize leads: application to cyclin-dependent kinase 2 antagonists. J Med Chem (2003) 0.77
AKT signaling as a novel factor associated with in vitro resistance of human AML to gemtuzumab ozogamicin. PLoS One (2013) 0.76
Cis-amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase. Bioorg Med Chem Lett (2012) 0.76
N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. J Med Chem (2004) 0.75
Luddite: an information-theoretic library design tool. J Chem Inf Comput Sci (2003) 0.75
Arylamidrazones as novel corticotropin releasing factor receptor antagonists. J Med Chem (2002) 0.75
A method to identify and screen libraries of guests that complex to a synthetic host. Angew Chem Int Ed Engl (2002) 0.75
Feature-map vectors: a new class of informative descriptors for computational drug discovery. J Comput Aided Mol Des (2007) 0.75
Design of a gene family screening library targeting G-protein coupled receptors. J Mol Graph Model (2004) 0.75