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6 results in Authors: Simon A. Rogers

Polymer Science

Working Paper

Dilute Solution Structure of Bottlebrush Polymers

Sarit Dutta, Matthew A. Wade, Dylan J. Walsh, Damien Guironnet, Simon A. Rogers, Charles E. Sing

Version 1 posted 08 January 2019

942

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Biological and Medicinal Chemistry

Working Paper

HT-SuMD: Making Molecular Dynamics Simulations Suitable for Fragment-Based Screening. a Comparative Study with NMR

Francesca Ferrari, Maicol Bissaro, Simone Fabbian, Jessica de Almeida Roger, Stefano Mammi, Stefano Moro, Massimo Bellanda, Mattia Sturlese

Version 1 posted 01 July 2020

574

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Citations

Theoretical and Computational Chemistry

Working Paper

Dewar Benzenoids Discovered In Carbon Nanobelts

Magnus Hanson-Heine, David Rogers, Simon Woodward, Jonathan D Hirst

Version 1 posted 13 January 2020

410

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Catalysis

Working Paper

Synthesis of stereoenriched piperidines via chemo-enzymatic dearomatization of activated pyridines

Vanessa Harawa, Thomas Thorpe, James Marshall, Amelia Gilio, Rachel Heath, Antonio Angelastro, James Finnigan, Simon Charnock, Gideon Grogan, Roger Whitehead, Nicholas Turner

Version 1 posted 05 October 2021

1,014

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Theoretical and Computational Chemistry

Working Paper

Describing Chiral Ligands in Palladium-catalyzed Decarboxylative Asymmetric Allylic Allylation: A Critical Comparison of Three Machine Learning Approaches

Declan Galvin, Eduardo Alberto Aguilar Bejarano, David M. Rogers, Simon Woodward, Ender Özcan, Patrick J. Guiry, Grazziela Figueredo

Version 2 posted 13 May 2024

285

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Organic Chemistry

Working Paper

Probing the Chemical "Reactome" with High Throughput Experimentation Data

Emma King-Smith, Simon Berritt, Louise Bernier, Xinjun Hou, Jacquelyn Klug-McLeod, Jason Mustakis, Neal Sach, Joseph Tucker, Qingyi Yang, Roger Howard, Alpha Lee

Version 2 posted 06 September 2023

1,356

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6 results in Simon A. Rogers in Authors: Simon A. Rogers

Dilute Solution Structure of Bottlebrush Polymers

HT-SuMD: Making Molecular Dynamics Simulations Suitable for Fragment-Based Screening. a Comparative Study with NMR

Dewar Benzenoids Discovered In Carbon Nanobelts

Synthesis of stereoenriched piperidines via chemo-enzymatic dearomatization of activated pyridines

Describing Chiral Ligands in Palladium-catalyzed Decarboxylative Asymmetric Allylic Allylation: A Critical Comparison of Three Machine Learning Approaches

Probing the Chemical "Reactome" with High Throughput Experimentation Data

6 results in Authors: Simon A. Rogers