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Catalysis

Working Paper

Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism

Andrew J. Paterson, Petter Dunås, Martin Rahm, Per-Ola Norrby, Gabriele Kociok-Kohn, Simon E. Lewis, Nina Kann

Version 2 posted 24 January 2020

826

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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

244

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Theoretical and Computational Chemistry

Working Paper

From Desktop to Benchtop – A Paradigm Shift in Asymmetric Synthesis

Mihai Burai Patrascu, Joshua Pottel, Sharon Pinus, Michelle Bezanson, Per-Ola Norrby, Nicolas Moitessier

Version 2 posted 16 October 2019

850

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1

Citations

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

626

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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

341

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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

360

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1

Citations

Physical Chemistry

Working Paper

Degradation of Pharmaceuticals Through Sequential Photon Absorption and Photoionization – the Case of Amiloride Derivatives

Kjell Jorner, Wangchuk Rabten, Tomas Slanina, Nathalie Proos Vedin, Sara Sillén, Jufang Wu Ludvigsson, Henrik Ottosson, Per-Ola Norrby

Version 2 posted 09 September 2020

660

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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

235

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Organic Chemistry

Working Paper

Machine Learning Meets Mechanistic Modelling for Accurate Prediction of Experimental Activation Energies

Kjell Jorner, Tore Brinck, Per-Ola Norrby, David Buttar

Version 1 posted 05 August 2020

1,042

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Theoretical and Computational Chemistry

Working Paper

AiZynthTrain: robust, reproducible, and extensible pipelines for training synthesis prediction models

Samuel Genheden, Per-Ola Norrby, Ola Engkvist

Version 1 posted 28 November 2022

913

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14 results in Per-Ola Norrby in Authors: Per-Ola Norrby

Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism

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

From Desktop to Benchtop – A Paradigm Shift in Asymmetric Synthesis

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

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

Automated Fitting of Transition State Force Fields for Biomolecular Simulations

Degradation of Pharmaceuticals Through Sequential Photon Absorption and Photoionization – the Case of Amiloride Derivatives

Finding relevant retrosynthetic disconnections for stereocontrolled reactions

Machine Learning Meets Mechanistic Modelling for Accurate Prediction of Experimental Activation Energies

AiZynthTrain: robust, reproducible, and extensible pipelines for training synthesis prediction models

14 results in Authors: Per-Ola Norrby