Mechanism of intramolecular C-H bond activation in [(LCu)2(u-O)2]2+ (L=1,4,7-trialkyl-1,4,7-triazazcyclononane): quantum mechanical/molecular mechanical modeling
박영상, C.J. Cramer, K.R. Kinsinger
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003
42
Computational Probing of the Folding Mechanism of Human Telomeric G-Quadruplex DNA
김은애, 박영상, 김현준
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 202310
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Computational study of the pK<inf>a</inf> values of a modified G·C base pair in duplex DNA
김현준, 박영상
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 202202
44
Balancing All-Atom Force Field for DNA Simulations Using Osmotic Pressure Data
김현준, 박영상
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 202007
45
Improving Temperature Generator in Parallel Tempering Simulation in the NPT Condition
양창원, 김현준, 박영상
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 202003
46
Refined Alkali Metal Ion Parameters for the OPC Water Model
양창원, 박영상, 만다 쿨카니
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 201808
47
A Perspective on the Effects of Antigen Shedding on Targeted Delivery of Immunotoxins in Solid Tumors: A Mathematical Model Study
박영상, 김은애
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 201612
48
Rebinding dynamics of NO to microperoxidase-8 probed by time-resolved vibrational spectroscopy
김효준, 이태곤, 임만호, 박영상, 박재흥, 김주영
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 201602
49
Probing alpha/beta Balances in Modified Amber Force Fields from a Molecular Dynamics Study on a beta beta alpha Model Protein (1FSD)
김은애, 박영상, 양창원
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 201406
50
Inversion Barriers of Methylsilole and Methylgermole Monoanions