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Compound Aggregation in Drug Discovery: Implementing a Practical NMR Assay for Medicinal Chemists

Journal of medicinal chemistry, 2013-06, Vol.56 (12), p.5142-5150

2013

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Monitoring Drug Self-Aggregation and Potential for Promiscuity in Off-Target In Vitro Pharmacology Screens by a Practical NMR Strategy

Journal of medicinal chemistry, 2013-09, Vol.56 (17), p.7073-7083

2013

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Solution Structure of Substrate-based Ligands When Bound to Hepatitis C Virus NS3 Protease Domain

The Journal of biological chemistry, 1999-06, Vol.274 (26), p.18618-18624

1999

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Ligand Bioactive Conformation Plays a Critical Role in the Design of Drugs That Target the Hepatitis C Virus NS3 Protease

Journal of medicinal chemistry, 2014-03, Vol.57 (5), p.1777-1789

2014

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Characterization of the Human Cytomegalovirus Protease As an Induced-Fit Serine Protease and the Implications to the Design of Mechanism-Based Inhibitors

Journal of the American Chemical Society, 1999-04, Vol.121 (13), p.2974-2986

1999

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Determining the Predominant Conformations of Mortiamides A–D in Solution Using NMR Data and Molecular Modeling Tools

ACS omega, 2023-07, Vol.8 (29), p.25832-25838

2023

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Importance of Ligand Bioactive Conformation in the Discovery of Potent Indole-Diamide Inhibitors of the Hepatitis C Virus NS5B

Journal of the American Chemical Society, 2010-11, Vol.132 (43), p.15204-15212

2010

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N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery

Bioorganic & medicinal chemistry letters, 2013-08, Vol.23 (16), p.4663-4668

2013

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RCM of Tripeptide Dienes Containing a Chiral Vinylcyclopropane Moiety: Impact of Different Ru-Based Catalysts on the Stereochemical Integrity of the Macrocyclic Products

Journal of organic chemistry, 2005-12, Vol.70 (26), p.10765-10773

2005

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Binding Mode Determination of Benzimidazole Inhibitors of the Hepatitis C Virus RNA Polymerase by a Structure and Dynamics Strategy

Angewandte Chemie (International ed.), 2004-08, Vol.43 (33), p.4306-4311

2004

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Dimethylthiazolidine Carboxylic Acid as a Rigid P3 Unit in Inhibitors of Serine Proteases: Application to Two Targets

Chemical biology & drug design, 2009-11, Vol.74 (5), p.517-522

2009

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Quantifying trifluoroacetic acid as a counterion in drug discovery by 19F NMR and capillary electrophoresis

Journal of pharmaceutical and biomedical analysis, 2007-03, Vol.43 (4), p.1324-1330

2007

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RCM of tripeptide dienes containing a chiral vinylcyclopropane moiety : Impact of different ru-based catalysts on the stereochemical integrity of themacrocyclic products

Journal of organic chemistry, 2005, Vol.70 (26), p.10765-10773

2005

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NMR line-broadening and transferred NOESY as a medicinal chemistry tool for studying inhibitors of the hepatitis C virus NS3 protease domain

Bioorganic & medicinal chemistry letters, 2000-10, Vol.10 (20), p.2271-2274

2000

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Transferred 13C T1 Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

Journal of the American Chemical Society, 2000-12, Vol.122 (50), p.12530-12535

2000

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Transferred 13 C T 1 Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

Journal of the American Chemical Society, 2000-12, Vol.122 (50), p.12530-12535

2000

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Human Cytomegalovirus Protease Complexes Its Substrate Recognition Sequences in an Extended Peptide Conformation

Biochemistry (Easton), 1998-07, Vol.37 (27), p.9793-9801

1998

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The Conformation of a Peptidyl Methyl Ketone Inhibitor Bound to the Human Cytomegalovirus Protease

Angewandte Chemie (International ed.), 1998-10, Vol.37 (19), p.2729-2732

1998

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Die Konformation eines an die humane Cytomegalievirus-Protease gebundenen Peptidylmethylketon-Inhibitors

Angewandte Chemie, 1998-10, Vol.110 (19), p.2858-2860

1998

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Binding Mode Determination of Benzimidazole Inhibitors of the Hepatitis C Virus RNA Polymerase by a Structure and Dynamics Strategy

Angewandte Chemie, 2004-08, Vol.116 (33), p.4406-4411

2004

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A simple synthesis of γ and δ-keto α-amino acid derivatives

Tetrahedron letters, 1990, Vol.31 (44), p.6311-6312

1990

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Several polyhydroxymonoamide renin inhibitors assume similar conformations n the unbound and renin-bound states

International Journal of Peptide and Protein Research, 1996-11, Vol.48 (5), p.401-410

1996

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Transferred 13C T 1 Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

Journal of the American Chemical Society, 2000-12, Vol.122 (50), p.12530-12535

2000

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The critical C-terminus of the small subunit of herpes simplex virus ribonucleotide reductase is mobile and conformationally similar to C-terminal peptides

International Journal of Peptide and Protein Research, 1994-12, Vol.44 (6), p.549-555

1994

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Die Konformation eines an die humane Cytomegalievirus‐Protease gebundenen Peptidylmethylketon‐Inhibitors

Angewandte Chemie, 1998-10, Vol.110 (19), p.2858-2860

1998

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Compound Aggregation in Drug Discovery: Implementing a Practical NMR Assay for Medicinal Chemists

Monitoring Drug Self-Aggregation and Potential for Promiscuity in Off-Target In Vitro Pharmacology Screens by a Practical NMR Strategy

Solution Structure of Substrate-based Ligands When Bound to Hepatitis C Virus NS3 Protease Domain

Ligand Bioactive Conformation Plays a Critical Role in the Design of Drugs That Target the Hepatitis C Virus NS3 Protease

Characterization of the Human Cytomegalovirus Protease As an Induced-Fit Serine Protease and the Implications to the Design of Mechanism-Based Inhibitors

Determining the Predominant Conformations of Mortiamides A–D in Solution Using NMR Data and Molecular Modeling Tools

Importance of Ligand Bioactive Conformation in the Discovery of Potent Indole-Diamide Inhibitors of the Hepatitis C Virus NS5B

N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery

RCM of Tripeptide Dienes Containing a Chiral Vinylcyclopropane Moiety: Impact of Different Ru-Based Catalysts on the Stereochemical Integrity of the Macrocyclic Products

Binding Mode Determination of Benzimidazole Inhibitors of the Hepatitis C Virus RNA Polymerase by a Structure and Dynamics Strategy

Dimethylthiazolidine Carboxylic Acid as a Rigid P3 Unit in Inhibitors of Serine Proteases: Application to Two Targets

Quantifying trifluoroacetic acid as a counterion in drug discovery by 19F NMR and capillary electrophoresis

RCM of tripeptide dienes containing a chiral vinylcyclopropane moiety : Impact of different ru-based catalysts on the stereochemical integrity of themacrocyclic products

NMR line-broadening and transferred NOESY as a medicinal chemistry tool for studying inhibitors of the hepatitis C virus NS3 protease domain

Transferred 13C T1 Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

Transferred 13 C T 1 Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

Human Cytomegalovirus Protease Complexes Its Substrate Recognition Sequences in an Extended Peptide Conformation

The Conformation of a Peptidyl Methyl Ketone Inhibitor Bound to the Human Cytomegalovirus Protease

Die Konformation eines an die humane Cytomegalievirus-Protease gebundenen Peptidylmethylketon-Inhibitors

Binding Mode Determination of Benzimidazole Inhibitors of the Hepatitis C Virus RNA Polymerase by a Structure and Dynamics Strategy

A simple synthesis of γ and δ-keto α-amino acid derivatives

Several polyhydroxymonoamide renin inhibitors assume similar conformations n the unbound and renin-bound states

Transferred 13C T 1 Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

The critical C-terminus of the small subunit of herpes simplex virus ribonucleotide reductase is mobile and conformationally similar to C-terminal peptides

Die Konformation eines an die humane Cytomegalievirus‐Protease gebundenen Peptidylmethylketon‐Inhibitors

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