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In Vivo Emergence of a Novel Mutant L159F/L320F in the NS5B Polymerase Confers Low-Level Resistance to the HCV Polymerase Inhibitors Mericitabine and Sofosbuvir

The Journal of infectious diseases, 2014-03, Vol.209 (5), p.668-675

2014

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Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development

ACS medicinal chemistry letters, 2014-02, Vol.5 (2), p.124-127

2014

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Design of Libraries Targeting Protein-Protein Interfaces

ChemMedChem, 2013-05, Vol.8 (5), p.726-732

2013

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Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods

Bioorganic & medicinal chemistry letters, 2023-03, Vol.84, p.129193-129193, Article 129193

2023

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A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation

Bioorganic & medicinal chemistry letters, 2019-05, Vol.29 (9), p.1074-1078

2019

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A Crowd-Based Process and Tool for HTS Hit Triage

Molecular informatics, 2013-04, Vol.32 (4), p.337-345

2013

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Enhancing Specificity and Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Chemical and Shape Features−A Case Study of HIV Protease Inhibitors

Journal of chemical information and modeling, 2006-05, Vol.46 (3), p.1236-1244

2006

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Evolutionary Optimization in Quantitative Structure−Activity Relationship: An Application of Genetic Neural Networks

Journal of medicinal chemistry, 1996-03, Vol.39 (7), p.1521-1530

1996

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Development of a robust crystallization platform for immune receptor TREM2 using a crystallization chaperone strategy

Protein expression and purification, 2021-03, Vol.179, p.105796-105796, Article 105796

2021

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Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors

Bioorganic & medicinal chemistry letters, 2016-10, Vol.26 (20), p.5092-5097

2016

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Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries

Methods in molecular biology (Clifton, N.J.), 2015, Vol.1289, p.43

2015

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Overview of artificial neural networks

Methods in molecular biology (Clifton, N.J.), 2008, Vol.458, p.15

2008

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Discovery of pyrazolo[3,4-d]pyrimidine derivatives as GPR119 agonists

Bioorganic & medicinal chemistry letters, 2014-02, Vol.24 (3), p.949-953

2014

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Automated Pharmacophore Query Optimization with Genetic AlgorithmsA Case Study Using the MC4R System

Journal of chemical information and modeling, 2007-07, Vol.47 (4), p.1545-1552

2007

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Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs

Bioorganic & medicinal chemistry letters, 2013-07, Vol.23 (14), p.4216-4220

2013

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Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), A Potent and Selective Cyclin-Dependent Kinase Inhibitor with Significant in Vivo Antitumor Activity

Journal of medicinal chemistry, 2006-11, Vol.49 (22), p.6549-6560

2006

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Genetic Neural Networks for Quantitative Structure−Activity Relationships: Improvements and Application of Benzodiazepine Affinity for Benzodiazepine/GABAA Receptors

Journal of medicinal chemistry, 1996-12, Vol.39 (26), p.5246-5256

1996

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Discovery of 1-arylcarbonyl-6,7-dimethoxyisoquinoline derivatives as glutamine fructose-6-phosphate amidotransferase (GFAT) inhibitors

Bioorganic & medicinal chemistry letters, 2011-11, Vol.21 (21), p.6264-6269

2011

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Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors

Bioorganic & medicinal chemistry letters, 2014-06, Vol.24 (12), p.2707-2711

2014

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A simple statistical test to infer the causality of target/phenotype correlation from small molecule phenotypic screens

Bioinformatics, 2012-02, Vol.28 (3), p.301-305

2012

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Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration

Journal of Chemical Information and Computer Sciences, 2001-11, Vol.41 (6), p.1623-1632

2001

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Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors

Journal of medicinal chemistry, 1992-08, Vol.35 (17), p.3201-3207

1992

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Use of quantitative structure-property relationships to predict the folding ability of model proteins

Proteins, structure, function, and bioinformatics, 1998-11, Vol.33 (2), p.177-203

1998

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Development of Neural Network QSPR Models for Hansch Substituent Constants. 2. Applications in QSAR Studies of HIV-1 Reverse Transcriptase and Dihydrofolate Reductase Inhibitors

Journal of Chemical Information and Computer Sciences, 2004-01, Vol.44 (1), p.154-160

2004

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In Vivo Emergence of a Novel Mutant L159F/L320F in the NS5B Polymerase Confers Low-Level Resistance to the HCV Polymerase Inhibitors Mericitabine and Sofosbuvir

Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development

Design of Libraries Targeting Protein-Protein Interfaces

Discovery of 2‑[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β Agonist in Clinical Trials for the Treatment of Dyslipidemia

Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods

A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation

A Crowd-Based Process and Tool for HTS Hit Triage

Enhancing Specificity and Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Chemical and Shape Features−A Case Study of HIV Protease Inhibitors

Evolutionary Optimization in Quantitative Structure−Activity Relationship: An Application of Genetic Neural Networks

Development of a robust crystallization platform for immune receptor TREM2 using a crystallization chaperone strategy

Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors

Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries

Overview of artificial neural networks

Discovery of pyrazolo[3,4-d]pyrimidine derivatives as GPR119 agonists

Automated Pharmacophore Query Optimization with Genetic AlgorithmsA Case Study Using the MC4R System

Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs

Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), A Potent and Selective Cyclin-Dependent Kinase Inhibitor with Significant in Vivo Antitumor Activity

Genetic Neural Networks for Quantitative Structure−Activity Relationships: Improvements and Application of Benzodiazepine Affinity for Benzodiazepine/GABAA Receptors

Discovery of 1-arylcarbonyl-6,7-dimethoxyisoquinoline derivatives as glutamine fructose-6-phosphate amidotransferase (GFAT) inhibitors

Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors

A simple statistical test to infer the causality of target/phenotype correlation from small molecule phenotypic screens

Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration

Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors

Use of quantitative structure-property relationships to predict the folding ability of model proteins

Development of Neural Network QSPR Models for Hansch Substituent Constants. 2. Applications in QSAR Studies of HIV-1 Reverse Transcriptase and Dihydrofolate Reductase Inhibitors

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