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Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5

Journal of medicinal chemistry, 2018-05, Vol.61 (9), p.4189-4202

2018

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The ways and means of fragment-based drug design

Pharmacology & therapeutics (Oxford), 2016-11, Vol.167, p.28-37

2016

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Structural and conformational determinants of macrocycle cell permeability

Nature chemical biology, 2016-12, Vol.12 (12), p.1065-1074

2016

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How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets

Journal of medicinal chemistry, 2016-03, Vol.59 (6), p.2312-2327

2016

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Methyl probes in proteins for determining ligand binding mode in weak protein–ligand complexes

Scientific reports, 2022-07, Vol.12 (1), p.11231-11231, Article 11231

2022

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Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space

Current opinion in chemical biology, 2018-06, Vol.44, p.23-29

2018

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Cell permeability beyond the rule of 5

Advanced drug delivery reviews, 2016-06, Vol.101, p.42-61

2016

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Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA

Angewandte Chemie (International ed.), 2015-02, Vol.54 (7), p.2179-2184

International ed. in English, 2015

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Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores

RSC medicinal chemistry, 2023-01, Vol.14 (1), p.135-143

2023

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Drug discovery beyond the rule of 5 - Opportunities and challenges

Expert opinion on drug discovery, 2017-02, Vol.12 (2), p.115-119

2017

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Drug Syntheses Beyond the Rule of 5

Chemistry : a European journal, 2020-01, Vol.26 (1), p.49-88

2020

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Cyclophilin Succumbs to a Macrocyclic Chameleon

Journal of medicinal chemistry, 2018-11, Vol.61 (21), p.9469-9472

2018

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Frontispiece: Drug Syntheses Beyond the Rule of 5

Chemistry : a European journal, 2020-01, Vol.26 (1), p.n/a

2020

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Rapid Elaboration of Fragments into Leads Applied to Bromodomain‑3 Extra-Terminal Domain

Journal of medicinal chemistry, 2023-04, Vol.66 (8), p.5859-5872

2023

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Rapid Elaboration of Fragments into Leads by X‑ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX)

Journal of medicinal chemistry, 2020-07, Vol.63 (13), p.6863-6875

2020

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Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of EcDsbA are Atypical Substrates

ChemMedChem, 2024-08, Vol.19 (16), p.e202300684-n/a

2024

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Multiplexed Native Mass Spectrometry Determination of Ligand Selectivity for Fatty Acid-Binding Proteins

ACS medicinal chemistry letters, 2024-07, Vol.15 (7), p.1071-1079

2024

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Synthesis of Unsymmetrical 1,1′-Disubstituted Bis(1,2,3-triazole)s Using Monosilylbutadiynes

Organic letters, 2011-02, Vol.13 (3), p.537-539

2011

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Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens

The Journal of biological chemistry, 2018-10, Vol.293 (43), p.16559-16571

2018

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NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide–dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei

Journal of biomolecular NMR, 2020-11, Vol.74 (10-11), p.595-611

2020

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Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials

ChemMedChem, 2022-03, Vol.17 (6), p.e202100673-n/a

2022

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A ligand-induced structural change in fatty acid–binding protein 1 is associated with potentiation of peroxisome proliferator–activated receptor α agonists

The Journal of biological chemistry, 2019-03, Vol.294 (10), p.3720-3734

2019

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Design of a Fragment-Screening Library

Methods in enzymology, 2018, Vol.610, p.97-115

2018

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Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data

Journal of biomolecular NMR, 2016-11, Vol.66 (3), p.195-208

2016

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Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of Ec DsbA are Atypical Substrates

ChemMedChem, 2024-08, Vol.19 (16)

2024

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Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5

The ways and means of fragment-based drug design

Structural and conformational determinants of macrocycle cell permeability

How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets

Methyl probes in proteins for determining ligand binding mode in weak protein–ligand complexes

Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space

Cell permeability beyond the rule of 5

Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA

Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores

Drug discovery beyond the rule of 5 - Opportunities and challenges

Drug Syntheses Beyond the Rule of 5

Cyclophilin Succumbs to a Macrocyclic Chameleon

Frontispiece: Drug Syntheses Beyond the Rule of 5

Rapid Elaboration of Fragments into Leads Applied to Bromodomain‑3 Extra-Terminal Domain

Rapid Elaboration of Fragments into Leads by X‑ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX)

Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of EcDsbA are Atypical Substrates

Multiplexed Native Mass Spectrometry Determination of Ligand Selectivity for Fatty Acid-Binding Proteins

Synthesis of Unsymmetrical 1,1′-Disubstituted Bis(1,2,3-triazole)s Using Monosilylbutadiynes

Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens

NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide–dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei

Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials

A ligand-induced structural change in fatty acid–binding protein 1 is associated with potentiation of peroxisome proliferator–activated receptor α agonists

Design of a Fragment-Screening Library

Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data

Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of Ec DsbA are Atypical Substrates

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