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Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor

ACS medicinal chemistry letters, 2017-01, Vol.8 (1), p.43-48

2017

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Chemoselective One-Pot Synthesis of Functionalized Amino-azaheterocycles Enabled by COware

Organic letters, 2017-12, Vol.19 (23), p.6368-6371

2017

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GRAM: A True Null Model for Relative Binding Affinity Predictions

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.11-16

2020

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SPAM: A Simple Approach for Profiling Bound Water Molecules

Journal of chemical theory and computation, 2013-12, Vol.9 (12), p.5539-5549

2013

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Modeling the value of predictive affinity scoring in preclinical drug discovery

Current opinion in structural biology, 2018-10, Vol.52, p.103-110

2018

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Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors

Bioorganic & medicinal chemistry letters, 2009, Vol.19 (1), p.27-30

2009

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Collaborating to improve the use of free-energy and other quantitative methods in drug discovery

Journal of computer-aided molecular design, 2016-12, Vol.30 (12), p.1139-1141

2016

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CADD medicine: design is the potion that can cure my disease

Journal of computer-aided molecular design, 2017-03, Vol.31 (3), p.249-253

2017

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Understanding the Selectivity of Genistein for Human Estrogen Receptor-β Using X-Ray Crystallography and Computational Methods

Structure (London), 2004-12, Vol.12 (12), p.2197-2207

2004

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Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands

Journal of medicinal chemistry, 2004-10, Vol.47 (21), p.5021-5040

2004

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Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)

Journal of medicinal chemistry, 2016-12, Vol.59 (23), p.10738-10749

2016

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Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X‑ray Fragment Screening

Journal of medicinal chemistry, 2016-06, Vol.59 (11), p.5356-5367

2016

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ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity

Journal of medicinal chemistry, 2005-06, Vol.48 (12), p.3953-3979

2005

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Structure-Based Design of Estrogen Receptor-β Selective Ligands

Journal of the American Chemical Society, 2004-11, Vol.126 (46), p.15106-15119

2004

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ERβ ligands. Part 6 6H -Chromeno [4,3 -b]quinolines as a new series of estrogen receptor β-selective ligands

Bioorganic & medicinal chemistry letters, 2007-07, Vol.17 (14), p.4053-4056

2007

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Infrared Spectra of Amide Groups in α-Helical Proteins: Evidence for Hydrogen Bonding between Helices and Water

Journal of the American Chemical Society, 2000-10, Vol.122 (41), p.9883-9890

2000

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Acylguanidines as Small-Molecule β-Secretase Inhibitors

Journal of medicinal chemistry, 2006-10, Vol.49 (21), p.6158-6161

2006

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Novel pyrrolyl 2-aminopyridines as potent and selective human β-secretase (BACE1) inhibitors

Bioorganic & medicinal chemistry letters, 2010-04, Vol.20 (7), p.2068-2073

2010

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The Effects of Protein Environment on the Low Temperature Electronic Spectroscopy of Cytochrome c and Microperoxidase-11

The journal of physical chemistry. B, 1999-07, Vol.103 (30), p.6334-6348

1999

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Hydrates and Solid-State Reactivity: A Survey of β-Lactam Antibiotics

Journal of pharmaceutical sciences, 2007-05, Vol.96 (5), p.1090-1099

2007

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Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA 2 Inhibitor

ACS medicinal chemistry letters, 2017-01, Vol.8 (1), p.43-48

2017

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Acylguanidine inhibitors of β-secretase : Optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets

Bioorganic & medicinal chemistry letters, 2008-02, Vol.18 (3), p.1063-1066

2008

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ERβ ligands. Part 4: Synthesis and structure–activity relationships of a series of 2-phenylquinoline derivatives

Bioorganic & medicinal chemistry letters, 2005-10, Vol.15 (20), p.4520-4525

2005

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Critical evaluation of methods to incorporate entropy loss upon binding in high-throughput docking

Proteins, structure, function, and bioinformatics, 2007-02, Vol.66 (2), p.422-435

2007

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Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones

Bioorganic & medicinal chemistry letters, 2005-06, Vol.15 (12), p.3137-3142

2005

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Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor

Chemoselective One-Pot Synthesis of Functionalized Amino-azaheterocycles Enabled by COware

GRAM: A True Null Model for Relative Binding Affinity Predictions

SPAM: A Simple Approach for Profiling Bound Water Molecules

Modeling the value of predictive affinity scoring in preclinical drug discovery

Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery

CADD medicine: design is the potion that can cure my disease

Understanding the Selectivity of Genistein for Human Estrogen Receptor-β Using X-Ray Crystallography and Computational Methods

Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands

Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X‑ray Fragment Screening

ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity

Structure-Based Design of Estrogen Receptor-β Selective Ligands

ERβ ligands. Part 6 6H -Chromeno [4,3 -b]quinolines as a new series of estrogen receptor β-selective ligands

Infrared Spectra of Amide Groups in α-Helical Proteins: Evidence for Hydrogen Bonding between Helices and Water

Acylguanidines as Small-Molecule β-Secretase Inhibitors

Novel pyrrolyl 2-aminopyridines as potent and selective human β-secretase (BACE1) inhibitors

The Effects of Protein Environment on the Low Temperature Electronic Spectroscopy of Cytochrome c and Microperoxidase-11

Hydrates and Solid-State Reactivity: A Survey of β-Lactam Antibiotics

Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA 2 Inhibitor

Acylguanidine inhibitors of β-secretase : Optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets

ERβ ligands. Part 4: Synthesis and structure–activity relationships of a series of 2-phenylquinoline derivatives

Critical evaluation of methods to incorporate entropy loss upon binding in high-throughput docking

Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones

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