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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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Computational Exploration of Zinc Binding Groups for HDAC Inhibition

Journal of organic chemistry, 2013-05, Vol.78 (10), p.5051-5055

2013

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Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products

Tetrahedron, 2022-01, Vol.104, p.132584, Article 132584

2022

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Inhibition and Mechanism of HDAC8 Revisited

Journal of the American Chemical Society, 2014-08, Vol.136 (33), p.11636-11643

2014

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Investigating the Nature of Palladium Chain-Walking in the Enantioselective Redox-Relay Heck Reaction of Alkenyl Alcohols

Journal of organic chemistry, 2014-12, Vol.79 (24), p.11841-11850

2014

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SET-Induced Biaryl Cross-Coupling: An SRN1 Reaction

Journal of organic chemistry, 2014-03, Vol.79 (6), p.2771-2774

2014

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Application of Q2MM to predictions in stereoselective synthesis

Chemical communications (Cambridge, England), 2018, Vol.54 (60), p.8294-8311

2018

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Automated fitting of transition state force fields for biomolecular simulations

PloS one, 2022-03, Vol.17 (3), p.e0264960-e0264960

2022

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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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Rapid virtual screening of enantioselective catalysts using CatVS

Nature catalysis, 2019-01, Vol.2 (1), p.41-45

2019

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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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Computational Organometallic Chemistry

1. Aufl., 2012

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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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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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Synthesis and Histone Deacetylase Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold

Organic letters, 2009-03, Vol.11 (6), p.1301-1304

2009

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Modular synthesis and biological activity of pyridyl-based analogs of the potent Class I Histone Deacetylase Inhibitor Largazole

Bioorganic & medicinal chemistry, 2015-08, Vol.23 (15), p.5061-5074

2015

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A mapping of drug space from the viewpoint of small molecule metabolism

PLoS computational biology, 2009-08, Vol.5 (8), p.e1000474

2009

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Identifying ligand binding conformations of the β2-adrenergic receptor by using its agonists as computational probes

PloS one, 2012-12, Vol.7 (12), p.e50186-e50186

2012

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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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Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision

Journal of organic chemistry, 2014-02, Vol.79 (3), p.1120-1130

2014

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Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation

Journal of chemical theory and computation, 2014-06, Vol.10 (6), p.2427-2435

2014

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Hydroxyl Radical's Role in the Remediation of a Common Herbicide, 2,4-Dichlorophenoxyacetic Acid (2,4-D)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-12, Vol.108 (50), p.10925-10933

2004

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On the Mechanism of the Palladium Catalyzed Intramolecular Pauson−Khand-Type Reaction

Journal of organic chemistry, 2009-07, Vol.74 (14), p.5049-5058

2009

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Regioselective Alkylation of Pyridinium Riboses

European journal of organic chemistry, 2020-01, Vol.2020 (4), p.446-449

2020

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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

Computational Exploration of Zinc Binding Groups for HDAC Inhibition

Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products

Inhibition and Mechanism of HDAC8 Revisited

Investigating the Nature of Palladium Chain-Walking in the Enantioselective Redox-Relay Heck Reaction of Alkenyl Alcohols

SET-Induced Biaryl Cross-Coupling: An SRN1 Reaction

Application of Q2MM to predictions in stereoselective synthesis

Automated fitting of transition state force fields for biomolecular simulations

The Increasingly Complex Mechanism of HMG-CoA Reductase

Rapid virtual screening of enantioselective catalysts using CatVS

Prediction of Enantioselectivity in Rhodium Catalyzed Hydrogenations

Computational Organometallic Chemistry

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

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

Synthesis and Histone Deacetylase Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold

Modular synthesis and biological activity of pyridyl-based analogs of the potent Class I Histone Deacetylase Inhibitor Largazole

A mapping of drug space from the viewpoint of small molecule metabolism

Identifying ligand binding conformations of the β2-adrenergic receptor by using its agonists as computational probes

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

Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision

Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation

Hydroxyl Radical's Role in the Remediation of a Common Herbicide, 2,4-Dichlorophenoxyacetic Acid (2,4-D)

On the Mechanism of the Palladium Catalyzed Intramolecular Pauson−Khand-Type Reaction

Regioselective Alkylation of Pyridinium Riboses

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