Publications by authors named "Jeremy Harvey"

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Halving the Barrier to Gas-Phase Oxidation of Bromide by Ozone.
Samuel C Brydon, Péter Szabó, Puttandon Wongsomboon, Berwyck L J Poad, David L Marshall, Jeremy N Harvey

J Phys Chem Lett· November 2025

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Photoinduced decarboxylation in fluorescent proteins: charge-transfer states and structure-function relationship.
Janko Čivić, Hideaki Mizuno, Jeremy N Harvey

Phys Chem Chem Phys· November 2025

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Conformational Analysis of Macrocyclic Compounds Using a Machine-Learned Interatomic Potential.
Hani M Hashim, Jeremy N Harvey

J Chem Theory Comput· October 2025

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A New Fragment-Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of SARS-CoV-2 NSP13 Helicase.
Jordi Doijen, Jiexiong Xie, Simone Marsili, Trpta Bains, Mandeep Kaur Mann, Jeremy Harvey

J Comput Chem· September 2025

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Investigation of the temperature effect on the formation of a two-dimensional self-assembled network at the liquid/solid interface.
Tamara Rinkovec, Eveline Croket, Hai Cao, Jeremy N Harvey, Steven De Feyter

Nanoscale· December 2024

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Author Correction: Molecular structure of soluble vimentin tetramers.
Pieter-Jan Vermeire, Anastasia V Lilina, Hani M Hashim, Lada Dlabolová, Jan Fiala, Jeremy N Harvey

Sci Rep· November 2024

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Reaction pathways leading to HPALD intermediates in the OH-initiated oxidation of isoprene.
Péter Szabó, Zhen Liu, Jean-François Müller, Jeremy N Harvey, Jozef Peeters

Phys Chem Chem Phys· October 2024

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Exploring the selectivity of cytochrome P450 for enhanced novel anticancer agent synthesis.
Janko Čivić, Neil R McFarlane, Joleen Masschelein, Jeremy N Harvey

Faraday Discuss· September 2024

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Biocatalytic pathways, cascades, cells and systems: general discussion.
Magdalena Abramiuk, Carlos Acevedo-Rocha, Abdulrahman Alogaidi, Fraser Armstrong, Amulyasai Bakshi, Jeremy N Harvey

Faraday Discuss· September 2024

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Artificial, biomimetic and hybrid enzymes: general discussion.
Carlos Acevedo-Rocha, Amulyasai Bakshi, Uwe T Bornscheuer, Dominic J Campopiano, Janko Čivić, Jeremy N Harvey

Faraday Discuss· September 2024

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Enzyme evolution, engineering and design: mechanism and dynamics: general discussion.
Carlos Acevedo-Rocha, Lukasz Berlicki, Uwe T Bornscheuer, Dominic J Campopiano, Pimchai Chaiyen, Jeremy N Harvey

Faraday Discuss· September 2024

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Gaseous inhibition of the transsulfuration pathway by cystathionine β-synthase.
Neil R McFarlane, Jiangli Gui, Julianna Oláh, Jeremy N Harvey

Phys Chem Chem Phys· June 2024

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The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry.
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Jeremy N Harvey

J Phys Chem A· June 2024

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On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface.
Tamara Rinkovec, Demian Kalebic, Wim Dehaen, Stephen Whitelam, Jeremy N Harvey

Chem Sci· April 2024

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Highly Ordered Co-Assembly of Bisurea Functionalized Molecular Switches at the Solid-Liquid Interface.
Cosima Stähler, Robby Reynaerts, Tamara Rinkovec, Lander Verstraete, G Henrieke Heideman, Jeremy N Harvey

Chemistry· March 2024

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Exploration of biochemical reactivity with a QM/MM growing string method.
Neil R McFarlane, Jeremy N Harvey

Phys Chem Chem Phys· February 2024

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Machine Learning Representations of the Three Lowest Adiabatic Electronic Potential Energy Surfaces for the ArH Reactive System.
Maarten Konings, Jeremy N Harvey, Jérôme Loreau

J Phys Chem A· October 2023

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Molecular structure of soluble vimentin tetramers.
Pieter-Jan Vermeire, Anastasia V Lilina, Hani M Hashim, Lada Dlabolová, Jan Fiala, Jeremy N Harvey

Sci Rep· May 2023

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An automated method for graph-based chemical space exploration and transition state finding.
Pablo Ramos-Sánchez, Jeremy N Harvey, José A Gámez

J Comput Chem· January 2023

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Stability profile of vimentin rod domain.
Anastasia V Lilina, Simon Leekens, Hani M Hashim, Pieter-Jan Vermeire, Jeremy N Harvey

Protein Sci· December 2022

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Microscopic Reactivity of Phenylferrate Ions toward Organyl Halides.
Stefan Lülf, Luxuan Guo, Tobias Parchomyk, Jeremy N Harvey, Konrad Koszinowski

Chemistry· November 2022

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The Mechanism of Biochemical NO-Sensing: Insights from Computational Chemistry.
Ahmed M Rozza, Marcell Papp, Neil R McFarlane, Jeremy N Harvey, Julianna Oláh

Chemistry· September 2022

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Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery.
Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, Herman W T van Vlijmen, Gary Tresadern, Jeremy Harvey

J Chem Inf Model· February 2022

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Pd-Catalyzed Ring Restructuring of Oxazolidines with Alkenes Leading to Fused Polycyclic Indolizines.
Xianjun Xu, Huangdi Feng, Xiaoyong Zhang, Liangliang Song, Luc Van Meervelt, Jeremy N Harvey

Org Lett· February 2022

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Computational Analysis of a Prebiotic Amino Acid Synthesis with Reference to Extant Codon-Amino Acid Relationships.
Tolga Yaman, Jeremy N Harvey

Life (Basel)· December 2021

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