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Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions

Journal of the American Chemical Society, 2017-07, Vol.139 (27), p.9120-9123

2017

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Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols

Journal of the American Chemical Society, 2014-02, Vol.136 (5), p.1960-1967

2014

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The Increasingly Complex Mechanism of HMG-CoA Reductase

Accounts of chemical research, 2013-11, Vol.46 (11), p.2416-2426

2013

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Diastereoselectivity in Lewis-Acid-Catalyzed Mukaiyama Aldol Reactions: A DFT Study

Journal of the American Chemical Society, 2012-09, Vol.134 (36), p.14973-14981

2012

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Prediction of Enantioselectivity in Rhodium Catalyzed Hydrogenations

Journal of the American Chemical Society, 2009-01, Vol.131 (2), p.410-411

2009

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Synthesis and Conformation−Activity Relationships of the Peptide Isosteres of FK228 and Largazole

Journal of the American Chemical Society, 2009-03, Vol.131 (8), p.2900-2905

2009

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Production of Proteins of the SARS-CoV‑2 Proteome for Drug Discovery

ACS omega, 2021-08, Vol.6 (30), p.19983-19994

2021

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Computational Studies on the Mechanism of the Copper-Catalyzed sp3-CH Cross-Dehydrogenative Coupling Reaction

ChemPlusChem (Weinheim, Germany), 2013-09, Vol.78 (9), p.943-951

2013

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Understanding Rate Acceleration and Stereoinduction of an Asymmetric Giese Reaction Mediated by a Chiral Rhodium Catalyst

Journal of the American Chemical Society, 2017-06, Vol.139 (24), p.8062-8065

2017

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Synthesis and Biochemical Evaluation of Biotinylated Conjugates of Largazole Analogues: Selective Class I Histone Deacetylase Inhibitors

Israel journal of chemistry, 2017-04, Vol.57 (3-4), p.319-330

2017

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Mechanism of Hydroxyl Radical-Induced Breakdown of the Herbicide 2,4-Dichlorophenoxyacetic Acid (2,4-D)

Chemistry : a European journal, 2003-11, Vol.9 (21), p.5379-5387

2003

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Visible-Light-Activated Asymmetric β‑C–H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds

Journal of the American Chemical Society, 2017-12, Vol.139 (48), p.17245-17248

2017

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Prediction of Stereochemistry using Q2MM

Accounts of chemical research, 2016-05, Vol.49 (5), p.996-1005

2016

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Ni-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions: Catalyst Identification and Optimization

Journal of the American Chemical Society, 2015-06, Vol.137 (22), p.7019-7022

2015

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Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels–Alder Reaction Outcomes

Journal of the American Chemical Society, 2024-06, Vol.146 (23), p.16052-16061

2024

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Transition State Force Field for the Asymmetric Redox-Relay Heck Reaction

Journal of the American Chemical Society, 2020-05, Vol.142 (21), p.9700-9707, Article jacs.0c01979

2020

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Density Functional Theory Isotope Effects and Activation Energies for the Cope and Claisen Rearrangements

Journal of the American Chemical Society, 1994-11, Vol.116 (22), p.10336-10337

1994

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Isotope Effects and the Mechanism of an Electron-Transfer-Catalyzed Diels−Alder Reaction

Journal of the American Chemical Society, 2002-09, Vol.124 (38), p.11552-11559

2002

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On the use of real-world datasets for reaction yield prediction

Chemical science (Cambridge), 2023-05, Vol.14 (19), p.4997-55

2023

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Ab Initio Studies of the Radical Cation Diels−Alder Reaction

Journal of the American Chemical Society, 1999-07, Vol.121 (28), p.6730-6736

1999

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Hydrogenation catalyst generates cyclic peptide stereocentres in sequence

Nature chemistry, 2018-09, Vol.10 (9), p.968

2018

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Stabilization of the Transition State of the Chorismate-Prephenate Rearrangement: An ab Initio Study of Enzyme and Antibody Catalysis

Journal of the American Chemical Society, 1995-11, Vol.117 (47), p.11628-11639

1995

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Palladium-Catalyzed Enantioselective Heck Alkenylation of Trisubstituted Allylic Alkenols: A Redox-Relay Strategy to Construct Vicinal Stereocenters

Chemical science (Cambridge), 2017-03, Vol.8 (3), p.2277-2282

2017

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Single-Flask Multicomponent Palladium-Catalyzed α,γ-Coupling of Ketone Enolates: Facile Preparation of Complex Carbon Scaffolds

Angewandte Chemie (International ed.), 2015-09, Vol.54 (40), p.11822-11825

International ed. in English, 2015

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Microsecond timescale MD simulations at the transition state of PmHMGR predict remote allosteric residues

Chemical science (Cambridge), 2021-04, Vol.12 (18), p.6413-6418

2021

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Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions

Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols

The Increasingly Complex Mechanism of HMG-CoA Reductase

Diastereoselectivity in Lewis-Acid-Catalyzed Mukaiyama Aldol Reactions: A DFT Study

Prediction of Enantioselectivity in Rhodium Catalyzed Hydrogenations

Synthesis and Conformation−Activity Relationships of the Peptide Isosteres of FK228 and Largazole

Production of Proteins of the SARS-CoV‑2 Proteome for Drug Discovery

Computational Studies on the Mechanism of the Copper-Catalyzed sp3-CH Cross-Dehydrogenative Coupling Reaction

Understanding Rate Acceleration and Stereoinduction of an Asymmetric Giese Reaction Mediated by a Chiral Rhodium Catalyst

Synthesis and Biochemical Evaluation of Biotinylated Conjugates of Largazole Analogues: Selective Class I Histone Deacetylase Inhibitors

Mechanism of Hydroxyl Radical-Induced Breakdown of the Herbicide 2,4-Dichlorophenoxyacetic Acid (2,4-D)

Visible-Light-Activated Asymmetric β‑C–H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds

Prediction of Stereochemistry using Q2MM

Ni-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions: Catalyst Identification and Optimization

Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels–Alder Reaction Outcomes

Transition State Force Field for the Asymmetric Redox-Relay Heck Reaction

Density Functional Theory Isotope Effects and Activation Energies for the Cope and Claisen Rearrangements

Isotope Effects and the Mechanism of an Electron-Transfer-Catalyzed Diels−Alder Reaction

On the use of real-world datasets for reaction yield prediction

Ab Initio Studies of the Radical Cation Diels−Alder Reaction

Hydrogenation catalyst generates cyclic peptide stereocentres in sequence

Stabilization of the Transition State of the Chorismate-Prephenate Rearrangement: An ab Initio Study of Enzyme and Antibody Catalysis

Palladium-Catalyzed Enantioselective Heck Alkenylation of Trisubstituted Allylic Alkenols: A Redox-Relay Strategy to Construct Vicinal Stereocenters

Single-Flask Multicomponent Palladium-Catalyzed α,γ-Coupling of Ketone Enolates: Facile Preparation of Complex Carbon Scaffolds

Microsecond timescale MD simulations at the transition state of PmHMGR predict remote allosteric residues

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