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Deciphering the Spectral Tuning Mechanism in Proteorhodopsin: The Dominant Role of Electrostatics Instead of Chromophore Geometry

Chemistry : a European journal, 2022-05, Vol.28 (28), p.e202200139-n/a

2022

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A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsin

Faraday discussions, 2018, Vol.207, p.137-152

2018

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Future COVID19 surges prediction based on SARS-CoV-2 mutations surveillance

eLife, 2023-01, Vol.12

2023

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The involvement of triplet states in the isomerization of retinaloids

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (42), p.26223-26231

2022

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Altered Nucleotide Insertion Mechanisms of Disease-Associated TERT Variants

Genes, 2023-01, Vol.14 (2), p.281

2023

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Insight into the isomerization mechanism of retinal proteins from hybrid quantum mechanics/molecular mechanics simulations

Wiley interdisciplinary reviews. Computational molecular science, 2022-01, Vol.12 (1), p.e1562-n/a

2022

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Disequilibrating azobenzenes by visible-light sensitization under confinement

Science (American Association for the Advancement of Science), 2023-09, Vol.381 (6664), p.1357-1363

2023

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Direct photoisomerization of CH2I2vs. CHBr3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (41), p.28883-28892

2016

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Direct photoisomerization of CH 2 I 2 vs. CHBr 3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (41), p.28883-28892

2016

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Counterion-controlled spectral tuning of the protonated Schiff-base retinal

Physical review. A, 2018-10, Vol.98 (4), Article 043428

2018

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A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsinElectronic supplementary information (ESI) available. See DOI: 10.1039/c7fd00198c

2018-04

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Frontiers in Multiscale Modeling of Photoreceptor Proteins

Photochemistry and photobiology, 2021-03, Vol.97 (2), p.243-269

2021

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Direct photoisomerization of CH2I2vs. CHBr3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical studyElectronic supplementary information (ESI) available: UV-vis absorption spectra of gaseous CHBr3 and CH2I2, layout of the ultrafast transient absorption set-up, the description of quantum yield and 340 nm excitation measurements for CH2I2, spectroscopic and computational background information, active space orbitals, MS-CASPT2 optimized geometries, and structural

2016-10

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A computational study of diiodomethane photoisomerization

Borin, Veniamin A

2016

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Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser

Science (American Association for the Advancement of Science), 2018-07, Vol.361 (6398)

2018

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Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine

Nature communications, 2022-05, Vol.13 (1), p.2618-2618, Article 2618

2022

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The impact of twisting on the intersystem crossing in acenes: an experimental and computational study

Physical chemistry chemical physics : PCCP, 2022-01, Vol.24 (4), p.2357-2362

2022

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Bending versus Twisting Acenes – A Computational Study

European journal of organic chemistry, 2021-10, Vol.2021 (39), p.5424-5429

2021

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NeoR, a near-infrared absorbing rhodopsin

Nature communications, 2020-11, Vol.11 (1), p.5682-10, Article 5682

2020

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Author Correction: NeoR, a near-infrared absorbing rhodopsin

Nature communications, 2024-05, Vol.15 (1), p.3959-3959, Article 3959

2024

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Ir(III)-PC(sp 3 )P Bifunctional Catalysts for Production of H 2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study

ACS catalysis, 2017-12, Vol.7 (12), p.8139-8146

2017

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The Conformational Behaviour of Fluorinated Tetrahydrothiopyran

Chemistry : a European journal, 2024-07, p.e202402260

2024

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Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study

ACS catalysis, 2017-12, Vol.7 (12), p.8139-8146

2017

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Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories

Photochemistry and photobiology, 2017-05, Vol.93 (3), p.888-902

2017

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Deciphering the Spectral Tuning Mechanism in Proteorhodopsin: The Dominant Role of Electrostatics Instead of Chromophore Geometry

A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsin

Future COVID19 surges prediction based on SARS-CoV-2 mutations surveillance

The involvement of triplet states in the isomerization of retinaloids

Altered Nucleotide Insertion Mechanisms of Disease-Associated TERT Variants

Insight into the isomerization mechanism of retinal proteins from hybrid quantum mechanics/molecular mechanics simulations

Disequilibrating azobenzenes by visible-light sensitization under confinement

Direct photoisomerization of CH2I2vs. CHBr3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study

Direct photoisomerization of CH 2 I 2 vs. CHBr 3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study

Counterion-controlled spectral tuning of the protonated Schiff-base retinal

Modern quantum chemistry with [Open]Molcas

A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsinElectronic supplementary information (ESI) available. See DOI: 10.1039/c7fd00198c

Frontiers in Multiscale Modeling of Photoreceptor Proteins

A computational study of diiodomethane photoisomerization

Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser

Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine

The impact of twisting on the intersystem crossing in acenes: an experimental and computational study

Bending versus Twisting Acenes – A Computational Study

NeoR, a near-infrared absorbing rhodopsin

Author Correction: NeoR, a near-infrared absorbing rhodopsin

Ir(III)-PC(sp 3 )P Bifunctional Catalysts for Production of H 2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study

The Conformational Behaviour of Fluorinated Tetrahydrothiopyran

Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study

Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories

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