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6 results in Authors: Jeremy Harvey

Theoretical and Computational Chemistry

An automated method for graph-based chemical space exploration and transition state finding.

Pablo Ramos-Sánchez, Jeremy Harvey, Jose Gámez

Version 2 posted 02 June 2022

893

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Theoretical and Computational Chemistry

Kinetic Modelling of Cobalt-Catalyzed Propene Hydroformylation: A Combined Ab Initio and Experimental Fitting Protocol

Luxuan Guo, Jeremy Harvey

Version 1 posted 09 November 2023

202

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Understanding Substrate Binding and Reactivity of Stearoyl-CoA Desaturase (SCD1) through Classical and Multiscale Molecular Dynamics Simulations

Janko Čivić, Iñaki Tuñón, Jeremy Harvey

Version 1 posted 12 November 2024

107

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Theoretical and Computational Chemistry

Exploration of Biochemical Reactivity with a QM/MM Growing String Method

Neil McFarlane, Jeremy Harvey

Version 2 posted 28 November 2023

291

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Mechanism of the Highly Effective Peptide Bond Hydrolysis by MOF808 Catalyst Under Biologically Relevant Conditions

Dragan Conic, Kristine Pierloot, Tatjana Parac-Vogt, Jeremy Harvey

Version 2 posted 09 September 2020

804

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Theoretical and Computational Chemistry

Transfer learning based on atomic feature extraction for the prediction of experimental ¹³C chemical shifts

Žarko Ivković, Jesús Jover, Jeremy Harvey

Version 1 posted 20 June 2024

207

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