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Modeling Partial Atomic Charge of Organic Molecule and Mutated Amino Acid in a Protein-Ligand Complex for Molecular Mechanics Simulation
Modeling Partial Atomic Charge of Organic Molecule and Mutated Amino Acid in a Protein-Ligand Complex for Molecular Mechanics Simulation
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Modeling Partial Atomic Charge of Organic Molecule and Mutated Amino Acid in a Protein-Ligand Complex for Molecular Mechanics Simulation

Park, Kyung Lae

Bulletin of the Korean Chemical Society, 2013, Vol.34 (1), p.299-302 [Periódico revisado por pares]

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2
Multiconfiguration Molecular Mechanics Studies for the Potential Energy Surfaces of the Excited State Double Proton Transfer in the 1:1 7-Azaindole:H 2O Complex
Multiconfiguration Molecular Mechanics Studies for the Potential Energy Surfaces of the Excited State Double Proton Transfer in the 1:1 7-Azaindole:H 2O Complex
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Multiconfiguration Molecular Mechanics Studies for the Potential Energy Surfaces of the Excited State Double Proton Transfer in the 1:1 7-Azaindole:H 2O Complex

Han, Jeong-A ; Kim, Yong-Ho

Bulletin of the Korean Chemical Society, 2010, Vol.31 (2), p.365-371 [Periódico revisado por pares]

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3
Docking and Quantum Mechanics-Guided CoMFA Analysis of b-RAF Inhibitors
Docking and Quantum Mechanics-Guided CoMFA Analysis of b-RAF Inhibitors
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Docking and Quantum Mechanics-Guided CoMFA Analysis of b-RAF Inhibitors

Muddassar, M ; Pasha, F. A ; Yoo, Kyung-Ho ; Lee, So-Ha ; Cho, Seung-Joo

Bulletin of the Korean Chemical Society, 2008, Vol.29 (8), p.1499-1504 [Periódico revisado por pares]

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4
Computer Graphics / Molecular Mechanics Studies of Quinolones Geometry Comparison with X-ray Crystal Structures
Computer Graphics / Molecular Mechanics Studies of Quinolones Geometry Comparison with X-ray Crystal Structures
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Computer Graphics / Molecular Mechanics Studies of Quinolones Geometry Comparison with X-ray Crystal Structures

Chung, Sung-Kee ; Daniel, F. chodosh

Bulletin of the Korean Chemical Society, 1990, Vol.11 (4), p.313-317 [Periódico revisado por pares]

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5
Computer Graphics / Molecular Mechanics Studies of ${\beta}$-Lactam Antibiotics. Geometry Comparison with X-Ray Crystal Structures
Computer Graphics / Molecular Mechanics Studies of ${\beta}$-Lactam Antibiotics. Geometry Comparison with X-Ray Crystal Structures
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Computer Graphics / Molecular Mechanics Studies of ${\beta}$-Lactam Antibiotics. Geometry Comparison with X-Ray Crystal Structures

Chung, Sung-Kee ; Chodosh, Daniel F

Bulletin of the Korean Chemical Society, 1989, Vol.10 (2), p.185-190 [Periódico revisado por pares]

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6
Computer Graphics / Molecular Mechanics Studies on Non-Classical $\beta$-Lactam Structures
Computer Graphics / Molecular Mechanics Studies on Non-Classical $\beta$-Lactam Structures
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Computer Graphics / Molecular Mechanics Studies on Non-Classical $\beta$-Lactam Structures

Chung, Sung-Kee

Bulletin of the Korean Chemical Society, 1989, Vol.10 (2), p.216-218 [Periódico revisado por pares]

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7
The Molecular Modeling of Novel Inhibitors of Protein Tyrosine Phosphatase 1B Based on Catechol by MD and MM-GB (PB)/SA Calculations
The Molecular Modeling of Novel Inhibitors of Protein Tyrosine Phosphatase 1B Based on Catechol by MD and MM-GB (PB)/SA Calculations
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The Molecular Modeling of Novel Inhibitors of Protein Tyrosine Phosphatase 1B Based on Catechol by MD and MM-GB (PB)/SA Calculations

Kocakaya, Safak Ozhan

Bulletin of the Korean Chemical Society, 2014, Vol.35 (6), p.1769-1776 [Periódico revisado por pares]

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8
Theoretical Investigation on the Structure, Detonation Performance and Pyrolysis Mechanism of 4,6,8-Trinitro-4,5,7,8-tetrahydro -6H-furazano[3,4-f]-1,3,5-triazepine
Theoretical Investigation on the Structure, Detonation Performance and Pyrolysis Mechanism of 4,6,8-Trinitro-4,5,7,8-tetrahydro -6H-furazano[3,4-f]-1,3,5-triazepine
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Theoretical Investigation on the Structure, Detonation Performance and Pyrolysis Mechanism of 4,6,8-Trinitro-4,5,7,8-tetrahydro -6H-furazano[3,4-f]-1,3,5-triazepine

Li, Xiao-Hong ; Zhang, Rui-Zhou ; Zhang, Xian-Zhou

Bulletin of the Korean Chemical Society, 2014, Vol.35 (5), p.1479-1484 [Periódico revisado por pares]

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9
Theoretical Characterization of Binding Mode of Organosilicon Inhibitor with p38: Docking, MD Simulation and MM/GBSA Free Energy Approach
Theoretical Characterization of Binding Mode of Organosilicon Inhibitor with p38: Docking, MD Simulation and MM/GBSA Free Energy Approach
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Theoretical Characterization of Binding Mode of Organosilicon Inhibitor with p38: Docking, MD Simulation and MM/GBSA Free Energy Approach

Gadhe, Changdev G ; Balupuri, Anand ; Kothandan, Gugan ; Cho, Seung Joo

Bulletin of the Korean Chemical Society, 2014, Vol.35 (8), p.2494-2504 [Periódico revisado por pares]

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10
Reduced Density Matrix Theory for Vibrational Absorption Line Shape in Energy Transfer Systems: Non-Condon Effects in Water
Reduced Density Matrix Theory for Vibrational Absorption Line Shape in Energy Transfer Systems: Non-Condon Effects in Water
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Reduced Density Matrix Theory for Vibrational Absorption Line Shape in Energy Transfer Systems: Non-Condon Effects in Water

Yang, Mi-No

Bulletin of the Korean Chemical Society, 2011, Vol.32 (2), p.439-443 [Periódico revisado por pares]

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