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Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores

Journal of chemical theory and computation, 2020-01, Vol.16 (1), p.587-600

2020

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Proton-Coupled Electron Transfer in Cytochrome Oxidase

Chemical reviews, 2010-12, Vol.110 (12), p.7062-7081

2010

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New Perspectives on Proton Pumping in Cellular Respiration

Chemical reviews, 2015-03, Vol.115 (5), p.2196-2221

2015

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Reciprocal Coupling in Chemically Fueled Assembly: A Reaction Cycle Regulates Self-Assembly and Vice Versa

Journal of the American Chemical Society, 2020-12, Vol.142 (49), p.20837-20844

2020

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Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I

Journal of the American Chemical Society, 2017-11, Vol.139 (45), p.16282-16288

2017

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Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography

Proceedings of the National Academy of Sciences - PNAS, 2012-11, Vol.109 (47), p.19256-19261

2012

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Architecture of bacterial respiratory chains

Nature reviews. Microbiology, 2021-05, Vol.19 (5), p.319-330

2021

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Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I

Proceedings of the National Academy of Sciences - PNAS, 2014-05, Vol.111 (19), p.6988-6993

2014

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Redox-induced activation of the proton pump in the respiratory complex I

Proceedings of the National Academy of Sciences - PNAS, 2015-09, Vol.112 (37), p.11571-11576

2015

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Long-range proton-coupled electron transfer in biological energy conversion: towards mechanistic understanding of respiratory complex I

Journal of the Royal Society interface, 2018-04, Vol.15 (141), p.20170916

Kaila, Ville R I

2018

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Long-range charge transfer mechanism of the III2IV2 mycobacterial supercomplex

Nature communications, 2024-06, Vol.15 (1), p.5276-18, Article 5276

2024

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Resolving Chemical Dynamics in Biological Energy Conversion: Long-Range Proton-Coupled Electron Transfer in Respiratory Complex I

Accounts of chemical research, 2021-12, Vol.54 (24), p.4462-4473

Kaila, Ville R. I

2021

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Electrostatic spectral tuning mechanism of the green fluorescent protein

Physical chemistry chemical physics : PCCP, 2013-04, Vol.15 (13), p.4491-4495

2013

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Ion Binding and Selectivity of the Na+/H+ Antiporter MjNhaP1 from Experiment and Simulation

The journal of physical chemistry. B, 2020-01, Vol.124 (2), p.336-344

2020

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Energetics and Dynamics of Proton-Coupled Electron Transfer in the NADH/FMN Site of Respiratory Complex I

Journal of the American Chemical Society, 2019-04, Vol.141 (14), p.5710-5719

2019

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Conformational processing of oncogenic v-Src kinase by the molecular chaperone Hsp90

Proceedings of the National Academy of Sciences - PNAS, 2015-06, Vol.112 (25), p.E3189-E3198

2015

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The Effect of Protein Environment on Photoexcitation Properties of Retinal

The journal of physical chemistry. B, 2012-02, Vol.116 (7), p.2249-2258

2012

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Linear Energy Relationships in Ground State Proton Transfer and Excited State Proton-Coupled Electron Transfer

The journal of physical chemistry. B, 2015-02, Vol.119 (6), p.2611-2619

2015

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Energetics of Direct and Water-Mediated Proton-Coupled Electron Transfer

Journal of the American Chemical Society, 2011-11, Vol.133 (47), p.19040-19043

2011

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Site-specific ubiquitylation and SUMOylation using genetic-code expansion and sortase

Nature chemical biology, 2019-03, Vol.15 (3), p.276-284

2019

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Water-Gated Proton Transfer Dynamics in Respiratory Complex I

Journal of the American Chemical Society, 2020-08, Vol.142 (32), p.13718-13728

2020

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Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores

Journal of chemical theory and computation, 2011-08, Vol.7 (8), p.2473-2484

2011

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Molecular Principles of Redox-Coupled Protonation Dynamics in Photosystem II

Journal of the American Chemical Society, 2022-04, Vol.144 (16), p.7171-7180

2022

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Energetics and dynamics of proton transfer reactions along short water wires

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (29), p.13207-13215

2011

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Symmetry-related proton transfer pathways in respiratory complex I

Proceedings of the National Academy of Sciences - PNAS, 2017-08, Vol.114 (31), p.E6314-E6321

2017

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Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores

Proton-Coupled Electron Transfer in Cytochrome Oxidase

New Perspectives on Proton Pumping in Cellular Respiration

Reciprocal Coupling in Chemically Fueled Assembly: A Reaction Cycle Regulates Self-Assembly and Vice Versa

Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I

Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography

Architecture of bacterial respiratory chains

Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I

Redox-induced activation of the proton pump in the respiratory complex I

Long-range proton-coupled electron transfer in biological energy conversion: towards mechanistic understanding of respiratory complex I

Long-range charge transfer mechanism of the III2IV2 mycobacterial supercomplex

Resolving Chemical Dynamics in Biological Energy Conversion: Long-Range Proton-Coupled Electron Transfer in Respiratory Complex I

Electrostatic spectral tuning mechanism of the green fluorescent protein

Ion Binding and Selectivity of the Na+/H+ Antiporter MjNhaP1 from Experiment and Simulation

Energetics and Dynamics of Proton-Coupled Electron Transfer in the NADH/FMN Site of Respiratory Complex I

Conformational processing of oncogenic v-Src kinase by the molecular chaperone Hsp90

The Effect of Protein Environment on Photoexcitation Properties of Retinal

Linear Energy Relationships in Ground State Proton Transfer and Excited State Proton-Coupled Electron Transfer

Energetics of Direct and Water-Mediated Proton-Coupled Electron Transfer

Site-specific ubiquitylation and SUMOylation using genetic-code expansion and sortase

Water-Gated Proton Transfer Dynamics in Respiratory Complex I

Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores

Molecular Principles of Redox-Coupled Protonation Dynamics in Photosystem II

Energetics and dynamics of proton transfer reactions along short water wires

Symmetry-related proton transfer pathways in respiratory complex I

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