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7 results in Authors: Steven Wheeler

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

Version 1 posted 07 October 2019

463

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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

Version 1 posted 23 December 2019

310

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Organic Chemistry

Working Paper

Converting SMILES to Stacking Interaction Energies

Andrea N. Bootsma, Steven Wheeler

Version 1 posted 06 May 2019

550

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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

Version 1 posted 16 December 2022

389

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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

Version 5 posted 29 July 2019

6,939

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Citations

Catalysis

Review

Electrostatic Interactions in Asymmetric Organocatalysis

Rajat Maji, Sharath Chandra Mallojjala, Steven Wheeler

Version 2 posted 01 February 2023

469

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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

Version 4 posted 02 May 2019

1,437

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7 results in Steven Wheeler in Authors: Steven Wheeler

Importance of Model Size in Quantum Mechanical Studies of DNA Intercalation

Intrinsic Stacking Interactions of Natural and Artificial Nucleobases

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

Electrostatic Interactions in Asymmetric Organocatalysis

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

7 results in Authors: Steven Wheeler