Publications by authors named "Jonathan R Church"

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The Molecular Basis of Growth Control in Guanine Crystals.
Dolev Brenman-Begin, Jonathan R Church, Siddharth Sahoo, Zohar Eyal, Idan Biran

Small· January 2026

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Origin of the red-shifted absorption maximum in channelrhodopsin Chrimson.
Jonathan R Church, Probal Nag, Tal Dogon, Igor Schapiro

Chem Commun (Camb)· August 2025

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Selective Choice of the Efficient Carotenoid Antenna by a Xanthorhodopsin: Controlling Factors for Binding and Excitation Energy Transfer.
Ishita Das, Ariel Chazan, Jonathan R Church, Shirley Larom, Rosa León

JACS Au· July 2025

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Accelerating Molecular Dynamics through Informed Resetting.
Jonathan R Church, Ofir Blumer, Tommer D Keidar, Leo Ploutno, Shlomi Reuveni

J Chem Theory Comput· January 2025

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RhoMax: Computational Prediction of Rhodopsin Absorption Maxima Using Geometric Deep Learning.
Meitar Sela, Jonathan R Church, Igor Schapiro, Dina Schneidman-Duhovny

J Chem Inf Model· June 2024

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Light-Oxygen-Voltage (LOV)-sensing Domains: Activation Mechanism and Optogenetic Stimulation.
Andrea Flores-Ibarra, Raiza N A Maia, Bence Olasz, Jonathan R Church, Guillaume Gotthard

J Mol Biol· March 2024

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The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry.
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jonathan Richard Church

J Chem Theory Comput· October 2023

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Disequilibrating azobenzenes by visible-light sensitization under confinement.
Julius Gemen, Jonathan R Church, Tero-Petri Ruoko, Nikita Durandin, Michał J Białek

Science· September 2023

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Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins.
Niccolò Ricardi, Cristina E González-Espinoza, Suliman Adam, Jonathan R Church, Igor Schapiro

J Chem Theory Comput· August 2023

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Induction effects on the absorption maxima of photoreceptor proteins.
Jonathan R Church, Jógvan Magnus Haugaard Olsen, Igor Schapiro

Biophys Physicobiol· March 2023

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Deciphering the Spectral Tuning Mechanism in Proteorhodopsin: The Dominant Role of Electrostatics Instead of Chromophore Geometry.
Jonathan R Church, Gil S Amoyal, Veniamin A Borin, Suliman Adam, Jógvan Magnus Haugaard Olsen

Chemistry· May 2022

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The Impact of Retinal Configuration on the Protein-Chromophore Interactions in Bistable Jumping Spider Rhodopsin-1.
Jonathan R Church, Jógvan Magnus Haugaard Olsen, Igor Schapiro

Molecules· December 2021

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Frontiers in Multiscale Modeling of Photoreceptor Proteins.
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Jonathan R Church

Photochem Photobiol· March 2021

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Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO.
Jonathan R Church, Veronica Vaida, Rex T Skodje

J Phys Chem A· March 2021

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Gas-Phase Reaction Kinetics of Pyruvic Acid with OH Radicals: The Role of Tunneling, Complex Formation, and Conformational Structure.
Jonathan R Church, Veronica Vaida, Rex T Skodje

J Phys Chem A· February 2020

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Double Hydrogen-Atom Exchange Reactions of HX (X = F, Cl, Br, I) with HO.
Jonathan R Church, Rex T Skodje

J Phys Chem A· June 2018

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Reaction Kinetics of HBr with HO: A New Channel for Isotope Scrambling Reactions.
Jonathan R Church, Rex T Skodje

J Phys Chem A· November 2016

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