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Theoretical and Computational Chemistry

Working Paper

Automated Fitting of Transition State Force Fields for Biomolecular Simulations

Olaf Wiest, Taylor R. Quinn, Himani Patel, Paul Helquist, Per-Ola Norrby, Kevin J. Koh, Brandon E. Haines

Version 1 posted 10 November 2020

413

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Organometallic Chemistry

Working Paper

Proofreading Experimentally Assigned Stereochemistry Through Q2MM Predictions in Pd-Catalyzed Allylic Aminations

Jessica Wahlers, Jèssica Margalef, Eric Hansen, Armita Bayesteh, Paul Helquist, Montserrat Diéguez, Oscar Pàmies, Olaf Wiest, Per-Ola Norrby

Version 1 posted 06 May 2021

261

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Organic Chemistry

Working Paper

Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Q2MM

Jessica Wahlers, Michael Maloney, Farbod Salahi, Anthony Rosales, Paul Helquist, Per-Ola Norrby, Olaf Wiest

Version 1 posted 18 January 2021

372

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Organic Chemistry

Working Paper

Short, Enantioselective Synthesis of Mevalonic Acid

Ryan J. Oconnell, Nicholas J. Dolphin, Olaf Wiest, Paul Helquist

Version 1 posted 26 April 2024

342

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Organic Chemistry

Working Paper

Synthesis of Caged HMG-CoA Reductase Substrates for Elucidation of Cellular Pathways

Ryan OConnell, Nicholas Dolphin, Guillermo Ferraudi, Mijoon Lee, Cynthia Stauffacher, Paul Helquist, Olaf Wiest

Version 1 posted 14 October 2024

43

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Theoretical and Computational Chemistry

Working Paper

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Taylor Quinn, Calvin N. Steussy, Brandon E. Haines, Jinping Lei, Wei Wang, Fu Kit Sheong, Cynthia V. Stauffacher, Xuhui Huang, Per-Ola Norrby, Paul Helquist, Olaf Wiest

Version 1 posted 21 October 2019

658

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Theoretical and Computational Chemistry

Working Paper

Finding relevant retrosynthetic disconnections for stereocontrolled reactions

Olaf Wiest, Christoph Bauer, Paul Helquist, Per-Ola Norrby, Samuel Genheden

Version 1 posted 23 January 2024

379

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7 results in Paul Helquist in Authors: Paul Helquist

Automated Fitting of Transition State Force Fields for Biomolecular Simulations

Proofreading Experimentally Assigned Stereochemistry Through Q2MM Predictions in Pd-Catalyzed Allylic Aminations

Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Q2MM

Short, Enantioselective Synthesis of Mevalonic Acid

Synthesis of Caged HMG-CoA Reductase Substrates for Elucidation of Cellular Pathways

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Finding relevant retrosynthetic disconnections for stereocontrolled reactions

7 results in Authors: Paul Helquist