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Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian

Chemphyschem, 2014-10, Vol.15 (15), p.3183-3193

2014

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Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation

Chemistry : a European journal, 2009-12, Vol.15 (48), p.13348-13355

2009

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Electric Field Keeps Chromophore Planar and Produces High Yield Fluorescence in Green Fluorescent Protein

Journal of the American Chemical Society, 2016-10, Vol.138 (41), p.13619-13629

2016

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Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission

Proceedings of the National Academy of Sciences - PNAS, 2007-03, Vol.104 (13), p.5274-5278

2007

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Overcoming the Limitation of Spin Statistics in Organic Light Emitting Diodes (OLEDs): Hot Exciton Mechanism and Its Characterization

International journal of molecular sciences, 2023-08, Vol.24 (15), p.12362

2023

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Elucidating activation and deactivation dynamics of VEGFR-2 transmembrane domain with coarse-grained molecular dynamics simulations

PloS one, 2023-02, Vol.18 (2), p.e0281781-e0281781

2023

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An Ensemble Docking Approach for Analyzing and Designing Aptamer Heterodimers Targeting VEGF165

International journal of molecular sciences, 2024-04, Vol.25 (7), p.4066

2024

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A proton transfer network that generates deprotonated tyrosine is a key to producing reactive oxygen species in phototoxic KillerRed protein

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (34), p.22342-22350

2018

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Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy

Nature communications, 2014-05, Vol.5 (1), p.3702-3702, Article 3702

2014

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Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles: Efficient and Reliable Excitation Energy Methods

Journal of physical chemistry (1952), 2007-06, Vol.111 (24), p.5314-5326

2007

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Mixed Quantum-Classical Description of Excitation Energy Transfer in a Model Fenna−Matthews−Olsen Complex

The journal of physical chemistry letters, 2011-04, Vol.2 (7), p.808-812

2011

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Mechanism of Ir(ppy) 3 Guest Exciton Formation with the Exciplex-Forming TCTA:TPBI Cohost within a Phosphorescent Organic Light-Emitting Diode Environment

International journal of molecular sciences, 2022-05, Vol.23 (11), p.5940

2022

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A structural remedy toward bright dipolar fluorophores in aqueous media

Chemical science (Cambridge), 2015-01, Vol.6 (7), p.4335-4342

2015

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Effect of Underdamped Vibration on Excitation Energy Transfer: Direct Comparison between Two Different Partitioning Schemes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-02, Vol.123 (6), p.1186-1197

2019

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Dynamics on the Electronically Excited State Surface of the Bioluminescent Firefly Luciferase–Oxyluciferin System

Journal of the American Chemical Society, 2011-08, Vol.133 (31), p.12040-12049

2011

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All-Atom Semiclassical Dynamics Study of Quantum Coherence in Photosynthetic Fenna–Matthews–Olson Complex

Journal of the American Chemical Society, 2012-07, Vol.134 (28), p.11640-11651

2012

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Characterization of Vinylgold Intermediates: Gold-Mediated Cyclization of Acetylenic Amides

Angewandte Chemie (International ed.), 2011-11, Vol.50 (48), p.11446-11450

International ed. in English, 2011

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Multiplexed-Replica Exchange Molecular Dynamics Method for Protein Folding Simulation

Biophysical journal, 2003-02, Vol.84 (2), p.775-786

2003

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Charge-dipole interactions in G-quadruplex thrombin-binding aptamer

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (32), p.21068-21074

2018

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Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter

JACS Au, 2021-07, Vol.1 (7), p.987-997

2021

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Two‐dimensional electronic spectrum simulation of simple photosynthetic complex models with semi‐classical Poisson bracket mapping equation

Bulletin of the Korean Chemical Society, 2022, 43(3), , pp.355-363

2022

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Interpolated Mechanics–Molecular Mechanics Study of Internal Rotation Dynamics of the Chromophore Unit in Blue Fluorescent Protein and Its Variants

The journal of physical chemistry. B, 2012-09, Vol.116 (36), p.11137-11147

2012

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Phase Behavior and Conductivity of Sulfonated Block Copolymers Containing Heterocyclic Diazole-Based Ionic Liquids

Macromolecules, 2012-11, Vol.45 (21), p.8702-8713

2012

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Theoretical Study on the Degree of CO2 Activation in CO2‑Coordinated Ni(0) Complexes

ACS omega, 2021-03, Vol.6 (11), p.7646-7654

2021

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On the pH Dependent Behavior of the Firefly Bioluminescence: Protein Dynamics and Water Content in the Active Pocket

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7260-7269

2013

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Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian

Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation

Electric Field Keeps Chromophore Planar and Produces High Yield Fluorescence in Green Fluorescent Protein

Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission

Overcoming the Limitation of Spin Statistics in Organic Light Emitting Diodes (OLEDs): Hot Exciton Mechanism and Its Characterization

Elucidating activation and deactivation dynamics of VEGFR-2 transmembrane domain with coarse-grained molecular dynamics simulations

An Ensemble Docking Approach for Analyzing and Designing Aptamer Heterodimers Targeting VEGF165

A proton transfer network that generates deprotonated tyrosine is a key to producing reactive oxygen species in phototoxic KillerRed protein

Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy

Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles: Efficient and Reliable Excitation Energy Methods

Mixed Quantum-Classical Description of Excitation Energy Transfer in a Model Fenna−Matthews−Olsen Complex

Mechanism of Ir(ppy) 3 Guest Exciton Formation with the Exciplex-Forming TCTA:TPBI Cohost within a Phosphorescent Organic Light-Emitting Diode Environment

A structural remedy toward bright dipolar fluorophores in aqueous media

Effect of Underdamped Vibration on Excitation Energy Transfer: Direct Comparison between Two Different Partitioning Schemes

Dynamics on the Electronically Excited State Surface of the Bioluminescent Firefly Luciferase–Oxyluciferin System

All-Atom Semiclassical Dynamics Study of Quantum Coherence in Photosynthetic Fenna–Matthews–Olson Complex

Characterization of Vinylgold Intermediates: Gold-Mediated Cyclization of Acetylenic Amides

Multiplexed-Replica Exchange Molecular Dynamics Method for Protein Folding Simulation

Charge-dipole interactions in G-quadruplex thrombin-binding aptamer

Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter

Two‐dimensional electronic spectrum simulation of simple photosynthetic complex models with semi‐classical Poisson bracket mapping equation

Interpolated Mechanics–Molecular Mechanics Study of Internal Rotation Dynamics of the Chromophore Unit in Blue Fluorescent Protein and Its Variants

Phase Behavior and Conductivity of Sulfonated Block Copolymers Containing Heterocyclic Diazole-Based Ionic Liquids

Theoretical Study on the Degree of CO2 Activation in CO2‑Coordinated Ni(0) Complexes

On the pH Dependent Behavior of the Firefly Bioluminescence: Protein Dynamics and Water Content in the Active Pocket

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