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Protein control of photochemistry and transient intermediates in phytochromes

Nature communications, 2022-11, Vol.13 (1), p.6838-6838, Article 6838

2022

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i-Motif folding intermediates with zero-nucleotide loops are trapped by 2'-fluoroarabinocytidine via F···H and O···H hydrogen bonds

Communications chemistry, 2023-02, Vol.6 (1), p.31-31, Article 31

2023

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Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (16), p.8585-8594

2020

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The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation

Chemical science (Cambridge), 2021-04, Vol.12 (15), p.5555-5565

2021

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Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics

The journal of physical chemistry. B, 2021-09, Vol.125 (36), p.10282-10292

2021

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From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain

Chemical science (Cambridge), 2021-10, Vol.12 (4), p.13331-13342

2021

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Solvent Structure around Lanthanoid(III) Ions in Liquid DMSO As Revealed by Polarizable Molecular Dynamics Simulations

The journal of physical chemistry. B, 2015-10, Vol.119 (42), p.13347-13357

2015

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l‑Cysteine Modified by S‑Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-05, Vol.123 (17), p.3685-3696

2019

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Site-specific incorporation of a fluorescent nucleobase analog enhances i-motif stability and allows monitoring of i-motif folding inside cells

Nucleic acids research, 2024-04, Vol.52 (6), p.3375

2024

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Fragmentation Spectra Prediction and DNA Adducts Structural Determination

Journal of the American Society for Mass Spectrometry, 2019-12, Vol.30 (12), p.2771-2784

2019

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Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H + ) 2

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (30), p.19744-19749

2018

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Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (42), p.8211-8227

2016

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Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces

Journal of the American Society for Mass Spectrometry, 2020-01, Vol.31 (1), p.2-24

2020

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Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales

Faraday discussions, 2016-01, Vol.195, p.599-618

2016

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Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H+)2 and TLK(H+)2 fragmentation dynamics, and with thermal simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp06818b

2018-01

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Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H + ) 2 and TLK(H + ) 2 fragmentation dynamics, and with thermal simulations

Physical chemistry chemical physics : PCCP, 2018-01, Vol.20 (5), p.3614-3629

2018

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Fragmentation Spectra Prediction and DNA Adducts Structural Determination

Journal of the American Society for Mass Spectrometry, 2019-12, Vol.30 (12), p.2771

2019

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Development and Characterization of Treprostinil Palmitil Inhalation Aerosol for the Investigational Treatment of Pulmonary Arterial Hypertension

International journal of molecular sciences, 2021-01, Vol.22 (2), p.548

2021

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Correction for Plaunt et al., “Development and Preclinical Evaluation of New Inhaled Lipoglycopeptides for the Treatment of Persistent Pulmonary Methicillin-Resistant Staphylococcus aureus Infections”

Antimicrobial agents and chemotherapy, 2022-11, Vol.66 (11), p.e0125622-e0125622

2022

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Development and Preclinical Evaluation of New Inhaled Lipoglycopeptides for the Treatment of Persistent Pulmonary Methicillin-Resistant Staphylococcus aureus Infections

Antimicrobial agents and chemotherapy, 2021-06, Vol.65 (7), p.e0031621-e0031621

2021

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Microfluidic-Based Robotic Sampling System for Radioactive Solutions

Nuclear technology, 2014-02, Vol.185 (2), p.216-225

2014

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Protein control of photochemistry and transient intermediates in phytochromes

i-Motif folding intermediates with zero-nucleotide loops are trapped by 2'-fluoroarabinocytidine via F···H and O···H hydrogen bonds

Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome

The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation

Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics

From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain

Solvent Structure around Lanthanoid(III) Ions in Liquid DMSO As Revealed by Polarizable Molecular Dynamics Simulations

l‑Cysteine Modified by S‑Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations

Site-specific incorporation of a fluorescent nucleobase analog enhances i-motif stability and allows monitoring of i-motif folding inside cells

Fragmentation Spectra Prediction and DNA Adducts Structural Determination

Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H + ) 2

Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters

Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces

Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales

Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H+)2 and TLK(H+)2 fragmentation dynamics, and with thermal simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp06818b

Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H + ) 2 and TLK(H + ) 2 fragmentation dynamics, and with thermal simulations

Fragmentation Spectra Prediction and DNA Adducts Structural Determination

Development and Characterization of Treprostinil Palmitil Inhalation Aerosol for the Investigational Treatment of Pulmonary Arterial Hypertension

Correction for Plaunt et al., “Development and Preclinical Evaluation of New Inhaled Lipoglycopeptides for the Treatment of Persistent Pulmonary Methicillin-Resistant Staphylococcus aureus Infections”

Development and Preclinical Evaluation of New Inhaled Lipoglycopeptides for the Treatment of Persistent Pulmonary Methicillin-Resistant Staphylococcus aureus Infections

Microfluidic-Based Robotic Sampling System for Radioactive Solutions

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