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Theoretical and Computational Chemistry

Working Paper

Intrinsic Stacking Interactions of Natural and Artificial Nucleobases

Drew P. Harding, Laura J. Kingsley, Glen Spraggon, Steven Wheeler

292

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Organic Chemistry

Working Paper

Predicting the Strength of Stacking Interactions Between Heterocycles and Aromatic Amino Acid Side Chains

Andrea N. Bootsma, Analise C. Doney, Steven Wheeler

1,322

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Theoretical and Computational Chemistry

Working Paper

Importance of Model Size in Quantum Mechanical Studies of DNA Intercalation

Drew P. Harding, Laura J. Kingsley, Glen Spraggon, Steven Wheeler

423

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Catalysis

Review

Electrostatic Interactions in Asymmetric Organocatalysis

Rajat Maji, Sharath Chandra Mallojjala, Steven Wheeler

370

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Organic Chemistry

Working Paper

Converting SMILES to Stacking Interaction Energies

Andrea N. Bootsma, Steven Wheeler

479

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Biological and Medicinal Chemistry

Working Paper

A Comprehensive Empirical–Computational Study of Diverse Het-eroarene Stacking under Physiological Conditions

Stacie Canan, Takaya Togo, Linh Tram, Laura Denton, Xochina ElHilali-Pollard, Jun Gu, Jinglei Jiang, Chenglei Liu, Yan Zhao, Yanlong Zhao, Yingzhe Zheng, Yunping Zheng, Jingjing Yang, Michelle Arkin, Panpan Fan, Deqian Sun, Steven Wheeler, Adam Renslo

318

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Catalysis

Working Paper

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

Andrea N. Bootsma, Steven Wheeler

6,349

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24

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7 results in Steven Wheeler in Authors: Steven Wheeler

Intrinsic Stacking Interactions of Natural and Artificial Nucleobases

Predicting the Strength of Stacking Interactions Between Heterocycles and Aromatic Amino Acid Side Chains

Importance of Model Size in Quantum Mechanical Studies of DNA Intercalation

Electrostatic Interactions in Asymmetric Organocatalysis

Converting SMILES to Stacking Interaction Energies

A Comprehensive Empirical–Computational Study of Diverse Het-eroarene Stacking under Physiological Conditions

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

7 results in Authors: Steven Wheeler