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eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk

Journal of chemical information and modeling, 2015-02, Vol.55 (2), p.231-238

2015

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Extracellular loop C of NPC1L1 is important for binding to ezetimibe

Proceedings of the National Academy of Sciences - PNAS, 2008-08, Vol.105 (32), p.11140-11145

2008

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Structure−Activity Relationship of Purine Ribonucleosides for Inhibition of Hepatitis C Virus RNA-Dependent RNA Polymerase

Journal of medicinal chemistry, 2004-04, Vol.47 (9), p.2283-2295

2004

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Structure−Activity Relationship of Heterobase-Modified 2‘-C-Methyl Ribonucleosides as Inhibitors of Hepatitis C Virus RNA Replication

Journal of medicinal chemistry, 2004-10, Vol.47 (21), p.5284-5297

2004

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Use of Density Functional Calculations To Predict the Regioselectivity of Drugs and Molecules Metabolized by Aldehyde Oxidase

Journal of medicinal chemistry, 2007-09, Vol.50 (19), p.4642-4647

2007

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Impact of pH on Plasma Protein Binding in Equilibrium Dialysis

Molecular pharmaceutics, 2008-05, Vol.5 (3), p.438-448

2008

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Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation

Journal of chemical information and modeling, 2020-04, Vol.60 (4), p.2091-2099

2020

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Knowledge-Based Approaches to Off-Target Screening

Methods in enzymology, 2018, Vol.610, p.311-323

McMasters, Daniel R

2018

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Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain

Bioorganic & medicinal chemistry letters, 2009-09, Vol.19 (18), p.5334-5338

2009

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Stereoselective Synthesis of a Potent Thrombin Inhibitor by a Novel P2−P3 Lactone Ring Opening

Journal of organic chemistry, 2004-05, Vol.69 (11), p.3620-3627

2004

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Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus

Bioorganic & medicinal chemistry letters, 2017-05, Vol.27 (9), p.2069-2073

2017

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Inhibitory Effect of 2′-Substituted Nucleosides on Hepatitis C Virus Replication Correlates with Metabolic Properties in Replicon Cells

Antimicrobial Agents and Chemotherapy, 2005-05, Vol.49 (5), p.2050-2058

2005

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Analysis of acyclic nucleoside modifications in siRNAs finds sensitivity at position 1 that is restored by 5'-terminal phosphorylation both in vitro and in vivo

Nucleic acids research, 2010-01, Vol.38 (2), p.660-671

2010

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Discovery of orally active hepatoselective glucokinase activators for treatment of Type II Diabetes Mellitus

Bioorganic & medicinal chemistry letters, 2017-05, Vol.27 (9), p.2063-2068

2017

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Characterization of Resistance to Non-obligate Chain-terminating Ribonucleoside Analogs That Inhibit Hepatitis C Virus Replication in Vitro

The Journal of biological chemistry, 2003-12, Vol.278 (49), p.49164-49170

2003

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QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets

Journal of Chemical Information and Modeling, 2009-08, Vol.49 (8), p.1974-1985

2009

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Guest editorial for special issue on "ADME and Physical Properties"

Journal of computer-aided molecular design, 2007-12, Vol.21 (12), p.649-650

McMasters, Daniel R

2007

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Spiroimidazolidinone NPC1L1 inhibitors. Part 2: Structure–activity studies and in vivo efficacy

Bioorganic & medicinal chemistry letters, 2010-12, Vol.20 (23), p.6929-6932

2010

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Synthesis and HCV inhibitory properties of 9-deaza- and 7,9-dideaza-7-oxa-2′- C-methyladenosine

Bioorganic & medicinal chemistry, 2007-08, Vol.15 (15), p.5219-5229

2007

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Inhibition of Recombinant Cytochrome P450 Isoforms 2D6 and 2C9 by Diverse Drug-like Molecules

Journal of medicinal chemistry, 2007-07, Vol.50 (14), p.3205-3213

2007

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Multiple-Conformation and Protonation-State Representation in 4D-QSAR: The Neurokinin-1 Receptor System

Journal of medicinal chemistry, 2000-11, Vol.43 (23), p.4416-4427

2000

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Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening

Bioorganic & medicinal chemistry letters, 2009-06, Vol.19 (11), p.2965-2968

2009

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Discovery and Evaluation of Potent P1 Aryl Heterocycle-Based Thrombin Inhibitors

Journal of medicinal chemistry, 2004-06, Vol.47 (12), p.2995-3008

2004

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Spectroscopy and Reactivity of Kekulé Hydrocarbons with Very Small Singlet−Triplet Gaps

Journal of the American Chemical Society, 2001-01, Vol.123 (2), p.238-246

2001

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Discovery of a novel class of isoxazoline voltage gated sodium channel blockers

Bioorganic & medicinal chemistry letters, 2009-09, Vol.19 (18), p.5329-5333

2009

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eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk

Extracellular loop C of NPC1L1 is important for binding to ezetimibe

Structure−Activity Relationship of Purine Ribonucleosides for Inhibition of Hepatitis C Virus RNA-Dependent RNA Polymerase

Structure−Activity Relationship of Heterobase-Modified 2‘-C-Methyl Ribonucleosides as Inhibitors of Hepatitis C Virus RNA Replication

Use of Density Functional Calculations To Predict the Regioselectivity of Drugs and Molecules Metabolized by Aldehyde Oxidase

Impact of pH on Plasma Protein Binding in Equilibrium Dialysis

Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation

Knowledge-Based Approaches to Off-Target Screening

Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain

Stereoselective Synthesis of a Potent Thrombin Inhibitor by a Novel P2−P3 Lactone Ring Opening

Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus

Inhibitory Effect of 2′-Substituted Nucleosides on Hepatitis C Virus Replication Correlates with Metabolic Properties in Replicon Cells

Analysis of acyclic nucleoside modifications in siRNAs finds sensitivity at position 1 that is restored by 5'-terminal phosphorylation both in vitro and in vivo

Discovery of orally active hepatoselective glucokinase activators for treatment of Type II Diabetes Mellitus

Characterization of Resistance to Non-obligate Chain-terminating Ribonucleoside Analogs That Inhibit Hepatitis C Virus Replication in Vitro

QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets

Guest editorial for special issue on "ADME and Physical Properties"

Spiroimidazolidinone NPC1L1 inhibitors. Part 2: Structure–activity studies and in vivo efficacy

Synthesis and HCV inhibitory properties of 9-deaza- and 7,9-dideaza-7-oxa-2′- C-methyladenosine

Inhibition of Recombinant Cytochrome P450 Isoforms 2D6 and 2C9 by Diverse Drug-like Molecules

Multiple-Conformation and Protonation-State Representation in 4D-QSAR: The Neurokinin-1 Receptor System

Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening

Discovery and Evaluation of Potent P1 Aryl Heterocycle-Based Thrombin Inhibitors

Spectroscopy and Reactivity of Kekulé Hydrocarbons with Very Small Singlet−Triplet Gaps

Discovery of a novel class of isoxazoline voltage gated sodium channel blockers

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