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Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH–Rate Profiles, Autocatalysis, and Disproportionation

Journal of the American Chemical Society, 2016-07, Vol.138 (29), p.9145-9157

2016

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Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion

Journal of the American Chemical Society, 2017-09, Vol.139 (37), p.13156-13165

2017

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Matched Molecular Pair Analysis in drug discovery

Drug discovery today, 2013-08, Vol.18 (15-16), p.724-731

2013

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Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated and Si-Induced Anionic Chain Reactions

Journal of the American Chemical Society, 2020-08, Vol.142 (34), p.14649-14663

2020

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Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Prehydrolytic Pathways and Self-/Auto-Catalysis

Journal of the American Chemical Society, 2021-09, Vol.143 (36), p.14814-14826

2021

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Anion-Initiated Trifluoromethylation by TMSCF3: Deconvolution of the Siliconate–Carbanion Dichotomy by Stopped-Flow NMR/IR

Journal of the American Chemical Society, 2018-09, Vol.140 (35), p.11112-11124

2018

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Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)

Journal of medicinal chemistry, 2018-04, Vol.61 (8), p.3277

2018

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MIDA boronates are hydrolysed fast and slow by two different mechanisms

Nature chemistry, 2016-11, Vol.8 (11), p.1067-1075

2016

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Catalytic Enantioselective Synthesis of Heterocyclic Vicinal Fluoroamines by Using Asymmetric Protonation: Method Development and Mechanistic Study

Chemistry : a European journal, 2020-09, Vol.26 (53), p.12249-12255

2020

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Binding Affinities of Host-Guest, Protein-Ligand, and Protein-Transition-State Complexes

Angewandte Chemie (International ed.), 2003-10, Vol.42 (40), p.4872-4897

2003

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Physiological and Pathological Factors Affecting Drug Delivery to the Brain by Nanoparticles

Advanced science, 2021-06, Vol.8 (11), p.n/a

2021

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Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins

Journal of medicinal chemistry, 2009-01, Vol.52 (2), p.225-233

2009

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Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis

Scientific reports, 2018-04, Vol.8 (1), p.6541-16, Article 6541

2018

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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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Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria

Journal of medicinal chemistry, 2022-04, Vol.65 (8), p.6088-6099

2022

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Discovery of an inhibitor of DNA-driven inflammation that preferentially targets the AIM2 inflammasome

iScience, 2023-05, Vol.26 (5), p.106758-106758, Article 106758

2023

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Use of Small-Molecule Crystal Structures To Address Solubility in a Novel Series of G Protein Coupled Receptor 119 Agonists: Optimization of a Lead and in Vivo Evaluation

Journal of medicinal chemistry, 2012-06, Vol.55 (11), p.5361-5379

2012

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Squaramides enhance NLRP3 inflammasome activation by lowering intracellular potassium

Cell death discovery, 2023-12, Vol.9 (1), p.469-469, Article 469

2023

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Protein–Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase

Journal of medicinal chemistry, 2012-06, Vol.55 (11), p.5003-5012

2012

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Matched molecular pairs as a medicinal chemistry tool

Journal of medicinal chemistry, 2011-11, Vol.54 (22), p.7739-7750

2011

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Chemists: AI Is Here; Unite To Get the Benefits

Journal of medicinal chemistry, 2020-08, Vol.63 (16), p.8695-8704

2020

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Stereoselective glycosylation using oxathiane glycosyl donors

Chemical communications (Cambridge, England), 2009-01 (39), p.5841-5843

2009

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Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory

Chemical communications (Cambridge, England), 2002-06 (12), p.1243-1255

2002

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Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Drug discovery today, 2018-07, Vol.23 (7), p.1373-1384

2018

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Mechanistic Studies on a Sulfoxide Transfer Reaction Mediated by Diphenyl Sulfoxide/Triflic Anhydride

Chemistry : a European journal, 2012-03, Vol.18 (10), p.2987-2997

2012

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Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH–Rate Profiles, Autocatalysis, and Disproportionation

Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion

Matched Molecular Pair Analysis in drug discovery

Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated and Si-Induced Anionic Chain Reactions

Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Prehydrolytic Pathways and Self-/Auto-Catalysis

Anion-Initiated Trifluoromethylation by TMSCF3: Deconvolution of the Siliconate–Carbanion Dichotomy by Stopped-Flow NMR/IR

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)

MIDA boronates are hydrolysed fast and slow by two different mechanisms

Catalytic Enantioselective Synthesis of Heterocyclic Vicinal Fluoroamines by Using Asymmetric Protonation: Method Development and Mechanistic Study

Binding Affinities of Host-Guest, Protein-Ligand, and Protein-Transition-State Complexes

Physiological and Pathological Factors Affecting Drug Delivery to the Brain by Nanoparticles

Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins

Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis

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

Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria

Discovery of an inhibitor of DNA-driven inflammation that preferentially targets the AIM2 inflammasome

Use of Small-Molecule Crystal Structures To Address Solubility in a Novel Series of G Protein Coupled Receptor 119 Agonists: Optimization of a Lead and in Vivo Evaluation

Squaramides enhance NLRP3 inflammasome activation by lowering intracellular potassium

Protein–Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase

Matched molecular pairs as a medicinal chemistry tool

Chemists: AI Is Here; Unite To Get the Benefits

Stereoselective glycosylation using oxathiane glycosyl donors

Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory

Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Mechanistic Studies on a Sulfoxide Transfer Reaction Mediated by Diphenyl Sulfoxide/Triflic Anhydride

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