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Comparison of the Accuracy of Experimental and Predicted pKa Values of Basic and Acidic Compounds

Pharmaceutical research, 2014-04, Vol.31 (4), p.1082-1095

2014

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Discovery of Potent and Selective Inhibitors of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Protein Kinase as Potential Anticancer Agents

Journal of medicinal chemistry, 2011-04, Vol.54 (7), p.2320-2330

2011

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Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis

ACS medicinal chemistry letters, 2019-08, Vol.10 (8), p.1134-1139

2019

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Discovery and Structure−Activity Relationship of 3-Aminopyrid-2-ones as Potent and Selective Interleukin-2 Inducible T-Cell Kinase (Itk) Inhibitors

Journal of medicinal chemistry, 2011-04, Vol.54 (7), p.2341-2350

2011

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Water-Soluble Molecular Capsules: Self-Assembly and Binding Properties

Chemistry : a European journal, 2005-01, Vol.11 (1), p.298-307

2005

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A Role for Hydration in Interleukin-2 Inducible T Cell Kinase (Itk) Selectivity

Molecular informatics, 2011-12, Vol.30 (11-12), p.950-959

2011

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Crystal Structure of Aurora-2, an Oncogenic Serine/Threonine Kinase

The Journal of biological chemistry, 2002-11, Vol.277 (45), p.42419-42422

2002

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A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host

Angewandte Chemie (International ed.), 2002-03, Vol.41 (6), p.1004-1008

2002

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Rational Design of Novel Antimicrobials: Blocking Purine Salvage in a Parasitic Protozoan

Biochemistry (Easton), 1998-04, Vol.37 (16), p.5344-5348

1998

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Neighboring cysteine residues in human fucosyltransferase VII are engaged in disulfide bridges, forming small loop structures

Glycobiology (Oxford), 2001-05, Vol.11 (5), p.423-432

2001

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The Raw Starch Binding Domain of Cyclodextrin Glycosyltransferase from Bacillus circulans Strain 251

The Journal of biological chemistry, 1996-12, Vol.271 (51), p.32777-32784

1996

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Crystallographic Studies of the Interaction of Cyclodextrin Glycosyltransferase from Bacillus circulans Strain 251 with Natural Substrates and Products

The Journal of biological chemistry, 1995-12, Vol.270 (49), p.29256-29264

1995

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Mutation of amino acids in the alpha 1,3-fucosyltransferase motif affects enzyme activity and Km for donor and acceptor substrates

Glycobiology (Oxford), 2005-02, Vol.15 (2), p.165-175

2005

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Structure of Cyclodextrin Glycosyltransferase Complexed with a Maltononaose Inhibitor at 2.6 Å Resolution. Implications for Product Specificity

Biochemistry (Easton), 1996-04, Vol.35 (13), p.4241-4249

1996

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A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host

Angewandte Chemie, 2002-03, Vol.114 (6), p.1046-1050

2002

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A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host

Angewandte Chemie, 2002-03, Vol.114 (6), p.1046-1050

2002

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Fucosyltransferases: structure/function studies

Glycobiology (Oxford), 2001-10, Vol.11 (10), p.119R-128R

2001

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Molecular docking to ensembles of protein structures

Journal of molecular biology, 1997-02, Vol.266 (2), p.424-440

1997

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Kinetic and mechanistic characterisation of Choline Kinase-α

Biochimica et biophysica acta. Proteins and proteomics, 2013-06, Vol.1834 (6), p.1107-1116

2013

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Similarity-driven flexible ligand docking

Proteins, structure, function, and bioinformatics, 2000-09, Vol.40 (4), p.623-636

2000

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Efficacy and selectivity in flexible database docking

Proteins, structure, function, and bioinformatics, 1999-11, Vol.37 (3), p.334-345

1999

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Sequence annotation of nuclear receptor ligand-binding domains by automated homology modeling

Protein engineering, 2000-06, Vol.13 (6), p.391-394

2000

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Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors

Journal of computer-aided molecular design, 1999-03, Vol.13 (2), p.167-183

1999

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MONTY: a Monte Carlo approach to protein-DNA recognition

Journal of molecular biology, 1994, Vol.235 (1), p.318-324

1994

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Monte Carlo docking of protein-DNA complexes: incorporation of DNA flexibility and experimental data

Protein engineering, 1994-06, Vol.7 (6), p.761-768

1994

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Comparison of the Accuracy of Experimental and Predicted pKa Values of Basic and Acidic Compounds

Discovery of Potent and Selective Inhibitors of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Protein Kinase as Potential Anticancer Agents

Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis

Discovery and Structure−Activity Relationship of 3-Aminopyrid-2-ones as Potent and Selective Interleukin-2 Inducible T-Cell Kinase (Itk) Inhibitors

Water-Soluble Molecular Capsules: Self-Assembly and Binding Properties

A Role for Hydration in Interleukin-2 Inducible T Cell Kinase (Itk) Selectivity

Crystal Structure of Aurora-2, an Oncogenic Serine/Threonine Kinase

A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host

Rational Design of Novel Antimicrobials: Blocking Purine Salvage in a Parasitic Protozoan

Neighboring cysteine residues in human fucosyltransferase VII are engaged in disulfide bridges, forming small loop structures

The Raw Starch Binding Domain of Cyclodextrin Glycosyltransferase from Bacillus circulans Strain 251

Crystallographic Studies of the Interaction of Cyclodextrin Glycosyltransferase from Bacillus circulans Strain 251 with Natural Substrates and Products

Mutation of amino acids in the alpha 1,3-fucosyltransferase motif affects enzyme activity and Km for donor and acceptor substrates

Structure of Cyclodextrin Glycosyltransferase Complexed with a Maltononaose Inhibitor at 2.6 Å Resolution. Implications for Product Specificity

A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host

A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host

Fucosyltransferases: structure/function studies

Molecular docking to ensembles of protein structures

Kinetic and mechanistic characterisation of Choline Kinase-α

Similarity-driven flexible ligand docking

Efficacy and selectivity in flexible database docking

Sequence annotation of nuclear receptor ligand-binding domains by automated homology modeling

Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors

MONTY: a Monte Carlo approach to protein-DNA recognition

Monte Carlo docking of protein-DNA complexes: incorporation of DNA flexibility and experimental data

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