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The nature of ligand efficiency

Journal of cheminformatics, 2019-01, Vol.11 (1), p.8-18, Article 8

Kenny, Peter W.

2019

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Hydrogen-Bond Donors in Drug Design

Journal of medicinal chemistry, 2022-11, Vol.65 (21), p.14261-14275

Kenny, Peter W.

2022

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Comment on The Ecstasy and Agony of Assay Interference Compounds

Journal of chemical information and modeling, 2017-11, Vol.57 (11), p.2640-2645

Kenny, Peter W

2017

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Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure

Journal of medicinal chemistry, 2006-11, Vol.49 (23), p.6672-6682

2006

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Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors

PLoS neglected tropical diseases, 2017-02, Vol.11 (2), p.e0005343-e0005343

2017

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The influence of hydrogen bonding on partition coefficients

Journal of computer-aided molecular design, 2017-02, Vol.31 (2), p.163-181

2017

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Toward Prediction of Alkane/Water Partition Coefficients

Journal of medicinal chemistry, 2008-07, Vol.51 (13), p.3720-3730

2008

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Matched molecular pair analysis of activity and properties of glycogen phosphorylase inhibitors

Bioorganic & medicinal chemistry letters, 2009-02, Vol.19 (3), p.850-853

2009

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Ligand efficiency metrics considered harmful

Journal of computer-aided molecular design, 2014-07, Vol.28 (7), p.699-710

2014

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Inflation of correlation in the pursuit of drug-likeness

Journal of computer-aided molecular design, 2013, Vol.27 (1), p.1-13

2013

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Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design

Journal of medicinal chemistry, 2016-05, Vol.59 (9), p.4278-4288

2016

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Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces

Journal of chemical information and modeling, 2022-09, Vol.62 (17), p.4083-4094

2022

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Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor

Bioorganic & medicinal chemistry, 2020-11, Vol.28 (22), p.115743-115743, Article 115743

2020

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A comparative study of warheads for design of cysteine protease inhibitors

Bioorganic & medicinal chemistry letters, 2017-11, Vol.27 (22), p.5031-5035

2017

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Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement

Bioorganic & medicinal chemistry, 2019-11, Vol.27 (22), p.115083-115083, Article 115083

2019

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Design of compound libraries for fragment screening

Journal of computer-aided molecular design, 2009-08, Vol.23 (8), p.513-525

2009

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Computation, experiment and molecular design

Journal of computer-aided molecular design, 2012, Vol.26 (1), p.69-72

Kenny, Peter W.

2012

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ClogPalk: a method for predicting alkane/water partition coefficient

Journal of computer-aided molecular design, 2013-05, Vol.27 (5), p.389-402

2013

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Discovery of novel imidazo[1,2-a]pyridines as inhibitors of the insulin-like growth factor-1 receptor tyrosine kinase

Bioorganic & medicinal chemistry letters, 2011-08, Vol.21 (16), p.4698-4701

2011

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An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes

Current topics in medicinal chemistry, 2007-08, Vol.7 (16), p.1600

2007

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Comment on: Rich and Myszka, Grading the commercial optical biosensor literature-Class of 2008: 'The Mighty Binders'. J. Mol. Recognit. 2010, 23, 1-64

Journal of molecular recognition, 2010-07, Vol.23 (4), p.393-393

Kenny, Peter W.

2010

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Identification of Compounds with Nanomolar Binding Affinity for Checkpoint Kinase-1 Using Knowledge-Based Virtual Screening

Journal of medicinal chemistry, 2004-04, Vol.47 (8), p.1962-1968

2004

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Automated molecule editing in molecular design

Journal of computer-aided molecular design, 2013-08, Vol.27 (8), p.655-664

2013

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Pharmacokinetic Benefits of 3,4-Dimethoxy Substitution of a Phenyl Ring and Design of Isosteres Yielding Orally Available Cathepsin K Inhibitors

Journal of medicinal chemistry, 2012-10, Vol.55 (20), p.8827-8837

2012

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The nature of ligand efficiency

Hydrogen-Bond Donors in Drug Design

Comment on The Ecstasy and Agony of Assay Interference Compounds

Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure

Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors

The influence of hydrogen bonding on partition coefficients

Toward Prediction of Alkane/Water Partition Coefficients

Matched molecular pair analysis of activity and properties of glycogen phosphorylase inhibitors

Ligand efficiency metrics considered harmful

Inflation of correlation in the pursuit of drug-likeness

Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design

Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces

Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor

A comparative study of warheads for design of cysteine protease inhibitors

Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement

Design of compound libraries for fragment screening

Computation, experiment and molecular design

ClogPalk: a method for predicting alkane/water partition coefficient

Discovery of novel imidazo[1,2-a]pyridines as inhibitors of the insulin-like growth factor-1 receptor tyrosine kinase

An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes

Comment on: Rich and Myszka, Grading the commercial optical biosensor literature-Class of 2008: 'The Mighty Binders'. J. Mol. Recognit. 2010, 23, 1-64

Identification of Compounds with Nanomolar Binding Affinity for Checkpoint Kinase-1 Using Knowledge-Based Virtual Screening

Automated molecule editing in molecular design

(1R,2R)-N-(1-Cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): A Potent and Highly Selective Cathepsin K Inhibitor for the Treatment of Osteoarthritis

Pharmacokinetic Benefits of 3,4-Dimethoxy Substitution of a Phenyl Ring and Design of Isosteres Yielding Orally Available Cathepsin K Inhibitors

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