| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 57 | 2023 |
| Frontiers in multiscale modeling of photoreceptor proteins MA Mroginski, S Adam, GS Amoyal, A Barnoy, AN Bondar, VA Borin, ... Photochemistry and photobiology 97 (2), 243-269, 2021 | 27 | 2021 |
| Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels A Rozenberg, I Kaczmarczyk, D Matzov, J Vierock, T Nagata, M Sugiura, ... Nature structural & molecular biology 29 (6), 592-603, 2022 | 24 | 2022 |
| Disequilibrating azobenzenes by visible-light sensitization under confinement J Gemen, JR Church, TP Ruoko, N Durandin, MJ Białek, M Weißenfels, ... Science 381 (6664), 1357-1363, 2023 | 21 | 2023 |
| Gas-phase reaction kinetics of pyruvic acid with OH radicals: The role of tunneling, complex formation, and conformational structure JR Church, V Vaida, RT Skodje The Journal of Physical Chemistry A 124 (5), 790-800, 2020 | 18 | 2020 |
| Charge transfer and polarization for chloride ions bound in ClC transport proteins: Natural bond orbital and energy decomposition analyses J Church, S Pezeshki, C Davis, H Lin The Journal of Physical Chemistry B 117 (50), 16029-16043, 2013 | 14 | 2013 |
| The impact of retinal configuration on the protein–chromophore interactions in bistable jumping spider rhodopsin-1 JR Church, JMH Olsen, I Schapiro Molecules 27 (1), 71, 2021 | 10 | 2021 |
| Double Hydrogen-Atom Exchange Reactions of HX (X = F, Cl, Br, I) with HO2 JR Church, RT Skodje The Journal of Physical Chemistry A 122 (24), 5251-5260, 2018 | 8 | 2018 |
| Kinetic Study of Gas-Phase Reactions of Pyruvic Acid with HO2 JR Church, V Vaida, RT Skodje The Journal of Physical Chemistry A 125 (11), 2232-2242, 2021 | 7 | 2021 |
| Filatov (Gulak) A Alavi, F Aleotti, F Aquilante, J Autschbach, D Avagliano, A Baiardi, ... M, 0 | 7 | |
| Deciphering the spectral tuning mechanism in proteorhodopsin: The dominant role of electrostatics instead of chromophore geometry JR Church, GS Amoyal, VA Borin, S Adam, JMH Olsen, I Schapiro Chemistry–A European Journal 28 (28), e202200139, 2022 | 5 | 2022 |
| Embedding nonrigid solutes in an averaged environment: a case study on rhodopsins N Ricardi, CE González-Espinoza, S Adam, JR Church, I Schapiro, ... Journal of Chemical Theory and Computation 19 (15), 5289-5302, 2023 | 4 | 2023 |
| Computational studies of photochemistry in phytochrome proteins JR Church, AG Rao, A Barnoy, C Wiebeler, I Schapiro QM/MM Studies of Light-responsive Biological Systems, 197-226, 2021 | 3 | 2021 |
| Reaction Kinetics of HBr with HO2: A New Channel for Isotope Scrambling Reactions JR Church, RT Skodje The Journal of Physical Chemistry A 120 (43), 8503-8511, 2016 | 3 | 2016 |
| Light-Oxygen-Voltage (LOV)-sensing domains: activation mechanism and optogenetic stimulation A Flores-Ibarra, RNA Maia, B Olasz, JR Church, G Gotthard, I Schapiro, ... Journal of Molecular Biology, 168356, 2023 | 2 | 2023 |
| Induction effects on the absorption maxima of photoreceptor proteins JR Church, JMH Olsen, I Schapiro Biophysics and Physicobiology, e201007, 2023 | 1 | 2023 |
| Direct observation of coherent azobenzene photochemistry J Standfuss, T Weinert, M Wranik, J Church, HP Seidel, C Slavov, ... | | 2023 |
| 12. INSIGHT INTO THE SPECTRAL TUNING MECHANISM OF RETINAL PROTEINS S Adam, VA Borin, GS Amoyal, JR Church, J Magnus, H Olsen, I Schapiro CT4OPTO BOOK OF ABSTRACTS, 21, 2021 | | 2021 |
| A Kinetic Study of Novel Gas-Phase Reaction Pathways for Pyruvic Acid and Hydrogen Halides with HOx Radicals JR Church University of Colorado at Boulder, 2018 | | 2018 |
| Deciphering the Spectral Tuning Mechanism in Proteorhodopsin J Church, GS Amoyal, VA Borin, S Adam, JM Olsen | | |
Igor SchapiroAssociate Professor, The Hebrew University of JerusalemVerified email at mail.huji.ac.il
