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Direct-to-Biology Accelerates PROTAC Synthesis and the Evaluation of Linker Effects on Permeability and Degradation

ACS medicinal chemistry letters, 2022-07, Vol.13 (7), p.1182-1190

2022

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Ultra-High-Throughput Acoustic Droplet Ejection-Open Port Interface-Mass Spectrometry for Parallel Medicinal Chemistry

ACS medicinal chemistry letters, 2020-06, Vol.11 (6), p.1101-1110

2020

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Enabling Deoxygenative C(sp2)‑C(sp3) Cross-Coupling for Parallel Medicinal Chemistry

ACS medicinal chemistry letters, 2023-06, Vol.14 (6), p.853-859

2023

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Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC)

Bioorganic & medicinal chemistry letters, 2019-06, Vol.29 (11), p.1380-1385

2019

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Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors

Bioorganic & medicinal chemistry letters, 2020-01, Vol.30 (1), p.126715, Article 126715

2020

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Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads

ACS medicinal chemistry letters, 2016-11, Vol.7 (11), p.999-1004

2016

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Parallel Synthesis of 1H-Pyrazolo[3,4‑d]pyrimidines via Condensation of N‑Pyrazolylamides and Nitriles

ACS combinatorial science, 2017-11, Vol.19 (11), p.675-680

2017

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Drug Discovery Automation and Library Synthesis in Flow

Flow Chemistry in Drug Discovery, 2021, Vol.38, p.421-479

2021

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Discovery, synthesis and SAR of azinyl- and azolylbenzamides antagonists of the P2X7 receptor

Bioorganic & medicinal chemistry letters, 2011-09, Vol.21 (18), p.5475-5479

2011

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DNA-Encoded Libraries

1, 2022

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Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

Journal of chemical information and modeling, 2021-06, Vol.61 (6), p.2686-2696

2021

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QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

Journal of chemical information and modeling, 2019-07, Vol.59 (7), p.3191-3197

2019

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Expanding the Medicinal Chemist Toolbox: Comparing Seven C(sp2)–C(sp3) Cross-Coupling Methods by Library Synthesis

ACS medicinal chemistry letters, 2020-04, Vol.11 (4), p.597-604

2020

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Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

Journal of chemical information and modeling, 2021-05, Vol.61 (5), p.2109-2115

2021

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Drug–Target Interactions Prediction at Scale: The Komet Algorithm with the LCIdb Dataset

Journal of chemical information and modeling, 2024-09, Vol.64 (18), p.6938-6956

2024

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Aromatic interactions at the ligand–protein interface: Implications for the development of docking scoring functions

Chemical biology & drug design, 2018-02, Vol.91 (2), p.380-390

Brylinski, Michal

2018

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Rapid assessment of a novel series of selective CB2 agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis

Bioorganic & medicinal chemistry letters, 2009-08, Vol.19 (15), p.4406-4409

2009

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Solution-phase microwave assisted parallel synthesis, biological evaluation and in silico docking studies of N,N′-disubstituted thioureas derived from 3-chlorobenzoic acid

Bioorganic & medicinal chemistry, 2016-09, Vol.24 (18), p.4452-4463

2016

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Current Parallel Solid-Phase Synthesis of Drug-like Oxadiazole and Thiadiazole Derivatives for Combinatorial Chemistry

ACS combinatorial science, 2018-06, Vol.20 (6), p.309-329

2018

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X‑Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1533-1538

2021

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Parallelization of Molecular Docking: A Review

Current topics in medicinal chemistry, 2018-01, Vol.18 (12), p.1015-1028

2018

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Selenium: the emerging element in the medicinal chemist's toolkit

Future medicinal chemistry, 2024-03, Vol.16 (6), p.493-496

2024

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Clickable Selenylation – a Paradigm for Seleno‐Medicinal Chemistry

ChemMedChem, 2022-09, Vol.17 (17), p.e202200324-n/a

2022

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Enzyme Degassing for Oxygen-Sensitive Reactions in Open Vessels of an Automated Parallel Synthesizer: RAFT Polymerizations

ACS combinatorial science, 2019-10, Vol.21 (10), p.643-649

2019

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Comparative computational fluid dynamic analysis between split and dual serpentine flow field for proton exchange membrane fuel cells

Chemical papers, 2023-09, Vol.77 (9), p.5033-5045

2023

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Direct-to-Biology Accelerates PROTAC Synthesis and the Evaluation of Linker Effects on Permeability and Degradation

Ultra-High-Throughput Acoustic Droplet Ejection-Open Port Interface-Mass Spectrometry for Parallel Medicinal Chemistry

Enabling Deoxygenative C(sp2)‑C(sp3) Cross-Coupling for Parallel Medicinal Chemistry

Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC)

Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors

Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads

Parallel Synthesis of 1H-Pyrazolo[3,4‑d]pyrimidines via Condensation of N‑Pyrazolylamides and Nitriles

Drug Discovery Automation and Library Synthesis in Flow

Discovery, synthesis and SAR of azinyl- and azolylbenzamides antagonists of the P2X7 receptor

DNA-Encoded Libraries

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

Expanding the Medicinal Chemist Toolbox: Comparing Seven C(sp2)–C(sp3) Cross-Coupling Methods by Library Synthesis

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

Drug–Target Interactions Prediction at Scale: The Komet Algorithm with the LCIdb Dataset

Aromatic interactions at the ligand–protein interface: Implications for the development of docking scoring functions

Rapid assessment of a novel series of selective CB2 agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis

Solution-phase microwave assisted parallel synthesis, biological evaluation and in silico docking studies of N,N′-disubstituted thioureas derived from 3-chlorobenzoic acid

Current Parallel Solid-Phase Synthesis of Drug-like Oxadiazole and Thiadiazole Derivatives for Combinatorial Chemistry

X‑Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy

Parallelization of Molecular Docking: A Review

Selenium: the emerging element in the medicinal chemist's toolkit

Clickable Selenylation – a Paradigm for Seleno‐Medicinal Chemistry

Enzyme Degassing for Oxygen-Sensitive Reactions in Open Vessels of an Automated Parallel Synthesizer: RAFT Polymerizations

Comparative computational fluid dynamic analysis between split and dual serpentine flow field for proton exchange membrane fuel cells

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