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Publication Date2016-11
Constructing an Interpolated Potential Energy Surface of a Large Molecule: A Case Study with Bacteriochlorophyll a Model in the Fenna-Matthews-Olson Complex
Chang Woo Kim; Young Min Rhee
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.12, no.11, pp.5235 - 5246
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Publication Date2016-10
How Does Solvation Affect the Binding of Hydrophilic Amino Saccharides to Cucurbit[7]uril with Exceptional Anomeric Selectivity?
Jianping Wang; Yoonjung Jang; Jayshree K. Khedkar, et al
CHEMISTRY-A EUROPEAN JOURNAL, v.22, no.44, pp.15791 - 15799
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Publication Date2016-10
Electric Field Keeps Chromophore Planar and Produces High Yield Fluorescence in Green Fluorescent Protein
Jae Woo Park; Young Min Rhee
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.138, no.41, pp.13619 - 13629
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Publication Date2016-04
Interpolation for molecular dynamics simulations: from ions in gas phase to proteins in solution
Young Min Rhee; Jae Woo Park
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.573 - 577
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Publication Date2016-02
Emission shaping in fluorescent proteins: Role of electrostatics and π-stacking
Jae Woo Park; Young Min Rhee
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.5, pp.3944 - 3955
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Publication Date2016-01
Phenylboronic acid-sugar grafted polymer architecture as a dual stimuli-responsive gene carrier for targeted anti-angiogenic tumor therapy
Kim, J.; Yeong Mi Lee; Kim, H., et al
BIOMATERIALS, v.75, pp.102 - 111
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Publication Date2015-08
Highly Sensitive and Selective Biosensors Based on Organic Transistors Functionalized with Cucurbit[6]uril Derivatives
Jang M.; Kim H.; Lee S., et al
ADVANCED FUNCTIONAL MATERIALS, v.25, no.30, pp.4882 - 4888
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Publication Date2015-07
Effect of Chromophore Potential Model on the Description of Exciton-Phonon Interactions
Chang Woo Kim; Jae Woo Park; Young Min Rhee
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.6, no.15, pp.2875 - 2880
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Publication Date2015-04
N-Heterocyclic Carbene Nitric Oxide Radicals
Park J.; Song H.; Kim Y., et al
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.137, no.14, pp.4642 - 4645
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Publication Date2015-02
On surface hopping and time-reversal
Joseph E. Subotnik; Young Min Rhee
JOURNAL OF PHYSICAL CHEMISTRY A, v.119, no.6, pp.990 - 995
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Publication Date2014-12
Diabatic population matrix formalism for performing molecular mechanics style simulations with multiple electronic states
Jae Woo Park; Young Min Rhee
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.10, no.12, pp.5238 - 5253
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Publication Date2014-10
Towards the realization of Ab initio dynamics at the speed of molecular mechanics: Simulations with interpolated diabatic hamiltonian
Jae Woo Park; Young Min Rhee
CHEMPHYSCHEM, v.15, no.15, pp.3183 - 3193
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Publication Date2014-09
Improving long time behavior of Poisson bracket mapping equation: A mapping variable scaling approach
Hyun Woo Kim; Weon-Gyu Lee; Young Min Rhee
JOURNAL OF CHEMICAL PHYSICS, v.141, no.12, pp.124107-01 - 124107-11
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Publication Date2014-05
Improving long time behavior of Poisson bracket mapping equation: A non-Hamiltonian approach
Hyun Woo Kim; Young Min Rhee
JOURNAL OF CHEMICAL PHYSICS, v.140, no.18, pp.184106
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Publication Date2014-05
Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy
Ran Namgung; Yeong Mi Lee; Jihoon Kim, et al
NATURE COMMUNICATIONS, v.5, pp.3702
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Publication Date2014-04
Constructing polyatomic potential energy surfaces by interpolating diabatic Hamiltonian matrices with demonstration on green fluorescent protein chromophore
Jae Woo Park; Young Min Rhee
JOURNAL OF CHEMICAL PHYSICS, v.140, no.16, pp.164112
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Publication Date2014-03
Excitonic energy transfer of cryptophyte phycocyanin 645 complex in physiological temperature by reduced hierarchical equation of motion
Weon-Gyu Lee; Young Min Rhee
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.35, no.3, pp.858 - 864
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Publication Date2014-01
Interpolation of Potential Energy Surfaces for Nonadiabatic Simulations of Biological Systems
Jae Woo Park; Rhee Young Min
BIOPHYSICAL JOURNAL, v.106, no.2, pp.806A
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Publication Date2014-01
Mixed Quantum-Classical Study of the Nonadiabatic Dynamics in Photosynthetic Systems
Hyun Woo Kim; Rhee Young Min
BIOPHYSICAL JOURNAL, v.106, no.2, pp.806A
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Publication Date2014-01
Simple method for Hybrid All-Atom and Coarse-Grained Molecular Dynamics Simulations and Its Applications
Sun Mi Choi; Pandian Sokkar; Young Min Rhee
BIOPHYSICAL JOURNAL, v.106, no.2, pp.413A - 413A