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Structural basis for selectivity and diversity in angiotensin II receptors

Nature (London), 2017-04, Vol.544 (7650), p.327-332

2017

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Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

Journal of Chemical Information and Modeling, 2009-02, Vol.49 (2), p.444-460

2009

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Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors

Nature structural & molecular biology, 2016-04, Vol.23 (4), p.293

2016

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A High-Throughput Screen for Aggregation-Based Inhibition in a Large Compound Library

Journal of medicinal chemistry, 2007-05, Vol.50 (10), p.2385-2390

2007

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Discovery of an Oral Respiratory Syncytial Virus (RSV) Fusion Inhibitor (GS-5806) and Clinical Proof of Concept in a Human RSV Challenge Study

Journal of medicinal chemistry, 2015-02, Vol.58 (4), p.1630-1643

2015

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The HIV-1 reverse transcriptase M184I mutation enhances the E138K-associated resistance to rilpivirine and decreases viral fitness

Journal of acquired immune deficiency syndromes (1999), 2012-01, Vol.59 (1), p.47

2012

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Docking for fragment inhibitors of AmpC β-lactamase

Proceedings of the National Academy of Sciences - PNAS, 2009-05, Vol.106 (18), p.7455-7460

2009

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Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis

Bioorganic & medicinal chemistry letters, 2003-10, Vol.13 (19), p.3227-3230

2003

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A Small-Molecule Inhibitor of Hepatitis C Virus Infectivity

Antimicrobial Agents and Chemotherapy, 2014-01, Vol.58 (1), p.386-396

2014

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Affinities between the Binding Partners of the HIV-1 Integrase Dimer-Lens Epithelium-derived Growth Factor (IN Dimer-LEDGF) Complex

The Journal of biological chemistry, 2009-11, Vol.284 (48), p.33580-33599

2009

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Investigation of orexin-2 selective receptor antagonists: Structural modifications resulting in dual orexin receptor antagonists

Bioorganic & medicinal chemistry letters, 2017-03, Vol.27 (6), p.1364-1370

2017

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Examining the Feasibility of Using Free Energy Perturbation (FEP+) in Predicting Protein Stability

Journal of chemical information and modeling, 2017-06, Vol.57 (6), p.1276-1285

2017

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Deconstructing fragment-based inhibitor discovery

Nature chemical biology, 2006-12, Vol.2 (12), p.720-723

2006

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New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action

The Journal of biological chemistry, 2012-06, Vol.287 (25), p.21189-21203

2012

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Discovery of 6‑(Fluoro-18 F)‑3-(1H‑pyrrolo[2,3‑c]pyridin-1-yl)isoquinolin-5-amine ([18F]-MK-6240): A Positron Emission Tomography (PET) Imaging Agent for Quantification of Neurofibrillary Tangles (NFTs)

Journal of medicinal chemistry, 2016-05, Vol.59 (10), p.4778-4789

2016

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Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as β-Lactamase Inhibitors

Journal of medicinal chemistry, 2010-11, Vol.53 (21), p.7852-7863

2010

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Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

Journal of medicinal chemistry, 2008-04, Vol.51 (8), p.2502-2511

2008

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Overview of Methods and Strategies for Conducting Virtual Small Molecule Screening

Current protocols in chemical biology, 2017-09, Vol.9 (3), p.196-212

2017

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Characterization of potent RSV neutralizing antibodies isolated from human memory B cells and identification of diverse RSV/hMPV cross-neutralizing epitopes

mAbs, 2019-11, Vol.11 (8), p.1415-1427

2019

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Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase

Journal of medicinal chemistry, 2010-01, Vol.53 (1), p.166-177

2010

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Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis: Mechanism and Novel Inhibitor Design

Structure (London), 2004-09, Vol.12 (9), p.1705-1717

2004

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O-Aryloxycarbonyl Hydroxamates: New β-Lactamase Inhibitors That Cross-Link the Active Site

Journal of the American Chemical Society, 2007-08, Vol.129 (31), p.9548-9549

2007

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Mutation of a Conserved Active Site Residue Converts Tyrosyl-DNA Phosphodiesterase I into a DNA Topoisomerase I-dependent Poison

Journal of molecular biology, 2007-09, Vol.372 (4), p.1070-1081

2007

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Structural basis for selectivity and diversity in angiotensin II receptors

Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors

A High-Throughput Screen for Aggregation-Based Inhibition in a Large Compound Library

Discovery of an Oral Respiratory Syncytial Virus (RSV) Fusion Inhibitor (GS-5806) and Clinical Proof of Concept in a Human RSV Challenge Study

The HIV-1 reverse transcriptase M184I mutation enhances the E138K-associated resistance to rilpivirine and decreases viral fitness

Docking for fragment inhibitors of AmpC β-lactamase

Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis

A Small-Molecule Inhibitor of Hepatitis C Virus Infectivity

Affinities between the Binding Partners of the HIV-1 Integrase Dimer-Lens Epithelium-derived Growth Factor (IN Dimer-LEDGF) Complex

Investigation of orexin-2 selective receptor antagonists: Structural modifications resulting in dual orexin receptor antagonists

Examining the Feasibility of Using Free Energy Perturbation (FEP+) in Predicting Protein Stability

Deconstructing fragment-based inhibitor discovery

New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action

Discovery of 6‑(Fluoro-18 F)‑3-(1H‑pyrrolo[2,3‑c]pyridin-1-yl)isoquinolin-5-amine ([18F]-MK-6240): A Positron Emission Tomography (PET) Imaging Agent for Quantification of Neurofibrillary Tangles (NFTs)

Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as β-Lactamase Inhibitors

Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

Overview of Methods and Strategies for Conducting Virtual Small Molecule Screening

Characterization of potent RSV neutralizing antibodies isolated from human memory B cells and identification of diverse RSV/hMPV cross-neutralizing epitopes

Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor

Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase

Structural basis for selectivity and diversity in angiotensin II receptors

Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis: Mechanism and Novel Inhibitor Design

O-Aryloxycarbonyl Hydroxamates: New β-Lactamase Inhibitors That Cross-Link the Active Site

Mutation of a Conserved Active Site Residue Converts Tyrosyl-DNA Phosphodiesterase I into a DNA Topoisomerase I-dependent Poison

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