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Ratiometric fluorescence nanoscopy and lifetime imaging of novel Nile Red analogs for analysis of membrane packing in living cells

Scientific reports, 2024-06, Vol.14 (1), p.13748-16

2024

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Response properties of embedded molecules through the polarizable embedding model

International journal of quantum chemistry, 2019-01, Vol.119 (1), p.n/a

2019

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Substituted 9-Diethylaminobenzo[ a ]phenoxazin-5-ones (Nile Red Analogues): Synthesis and Photophysical Properties

Journal of organic chemistry, 2021-01, Vol.86 (2), p.1471-1488

2021

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Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments

Journal of chemical theory and computation, 2020-02, Vol.16 (2), p.1162-1174

2020

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The Importance of Solvent Effects in Calculations of NMR Coupling Constants at the Doubles Corrected Higher Random-Phase Approximation

Magnetochemistry, 2023-04, Vol.9 (4), p.102

2023

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Natamycin interferes with ergosterol-dependent lipid phases in model membranes

BBA advances, 2023-01, Vol.4, p.100102-100102, Article 100102

2023

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Color Tuning in Bovine Rhodopsin through Polarizable Embedding

The journal of physical chemistry. B, 2024-03, Vol.128 (12), p.2864-2873

2024

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Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding

Journal of chemical theory and computation, 2022-01, Vol.18 (1), p.344-356

2022

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Computational and photophysical characterization of a Laurdan malononitrile derivative

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9139-9146

2021

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Embedding Beyond Electrostatics: The Extended Polarizable Density Embedding Model

The journal of physical chemistry. B, 2023-04, Vol.127 (14), p.3248-3256

2023

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Mechanism behind Polysorbates’ Inhibitory Effect on P‑Glycoprotein

Molecular pharmaceutics, 2022-07, Vol.19 (7), p.2248-2253

2022

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Analytic geometric gradients for the polarizable density embedding model

International journal of quantum chemistry, 2023-09, Vol.123 (18), p.n/a

2023

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Rational Design of Nile Red Analogs for Sensing in Membranes

The journal of physical chemistry. B, 2019-12, Vol.123 (49), p.10424-10432

2019

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Accuracy of One- and Two-Photon Intensities with the Extended Polarizable Density Embedding Model

The journal of physical chemistry. B, 2023-11, Vol.127 (46), p.9905-9914

2023

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Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multiscale Modeling

The journal of physical chemistry letters, 2017-12, Vol.8 (23), p.5949-5958

2017

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Importance of Polarizable Embedding for Absorption Spectrum Calculations of Arabidopsis thaliana Cryptochrome 1

The journal of physical chemistry. B, 2024-07, Vol.128 (26), p.6283-6290

2024

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Nitrogen K‑Edge X‑ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

The journal of physical chemistry letters, 2021-09, Vol.12 (36), p.8865-8871

2021

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Understanding the Red Shift in the Absorption Spectrum of the FAD Cofactor in ClCry4 Protein

The journal of physical chemistry. B, 2024-06, Vol.128 (22), p.5320-5326

2024

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Direct observation of nystatin binding to the plasma membrane of living cells

Biochimica et biophysica acta. Biomembranes, 2021-02, Vol.1863 (2), p.183528, Article 183528

2021

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Dissociation Energies via Embedding Techniques

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-10, Vol.128 (42), p.9275-9286

2024

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Multiconfigurational SCF and Short-Range DFT Combined with Polarizable Density Embedding: Comparison of Linear-Response and State-Specific Solvatochromic Shifts of Acrolein and Para-nitrophenolate in Water

Journal of chemical theory and computation, 2022-10, Vol.18 (10), p.6231-6239

2022

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Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-07, Vol.127 (27), p.5689-5703

2023

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Simulating X‑ray Absorption Spectroscopy in Challenging Environments: Methodological Insights from Water-Solvated Ammonia and Ammonium Systems

Journal of chemical theory and computation, 2024-05, Vol.20 (9), p.3406-3412

2024

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The impact of acyl-CoA:cholesterol transferase (ACAT) inhibitors on biophysical membrane properties depends on membrane lipid composition

Molecular and cellular endocrinology, 2024-12, Vol.594, p.112385, Article 112385

2024

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Computational Characterization of Novel Malononitrile Variants of Laurdan with Improved Photophysical Properties for Sensing in Membranes

The journal of physical chemistry. B, 2020-10, Vol.124 (43), p.9526-9534

2020

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Ratiometric fluorescence nanoscopy and lifetime imaging of novel Nile Red analogs for analysis of membrane packing in living cells

Response properties of embedded molecules through the polarizable embedding model

Substituted 9-Diethylaminobenzo[ a ]phenoxazin-5-ones (Nile Red Analogues): Synthesis and Photophysical Properties

Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments

The Importance of Solvent Effects in Calculations of NMR Coupling Constants at the Doubles Corrected Higher Random-Phase Approximation

Natamycin interferes with ergosterol-dependent lipid phases in model membranes

Color Tuning in Bovine Rhodopsin through Polarizable Embedding

Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding

Computational and photophysical characterization of a Laurdan malononitrile derivative

Embedding Beyond Electrostatics: The Extended Polarizable Density Embedding Model

Mechanism behind Polysorbates’ Inhibitory Effect on P‑Glycoprotein

Analytic geometric gradients for the polarizable density embedding model

Rational Design of Nile Red Analogs for Sensing in Membranes

Accuracy of One- and Two-Photon Intensities with the Extended Polarizable Density Embedding Model

Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multiscale Modeling

Importance of Polarizable Embedding for Absorption Spectrum Calculations of Arabidopsis thaliana Cryptochrome 1

Nitrogen K‑Edge X‑ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

Understanding the Red Shift in the Absorption Spectrum of the FAD Cofactor in ClCry4 Protein

Direct observation of nystatin binding to the plasma membrane of living cells

Dissociation Energies via Embedding Techniques

Multiconfigurational SCF and Short-Range DFT Combined with Polarizable Density Embedding: Comparison of Linear-Response and State-Specific Solvatochromic Shifts of Acrolein and Para-nitrophenolate in Water

Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra

Simulating X‑ray Absorption Spectroscopy in Challenging Environments: Methodological Insights from Water-Solvated Ammonia and Ammonium Systems

The impact of acyl-CoA:cholesterol transferase (ACAT) inhibitors on biophysical membrane properties depends on membrane lipid composition

Computational Characterization of Novel Malononitrile Variants of Laurdan with Improved Photophysical Properties for Sensing in Membranes

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