Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Jae-Kwang Shin"'
Publikováno v:
Journal of Golf Studies. 15:57-66
Autor:
Jun-Hee Hong, Jae-Kwang Shin
Publikováno v:
Journal of Golf Studies. 13:75-92
Autor:
Bong-Arm Choi, Jae-Kwang Shin
Publikováno v:
Journal of Golf Studies. 12:163-179
Publikováno v:
Journal of Computational Chemistry. 16:478-485
The three-dimensional structure of the carboxyl-terminal region of the human ras oncogenic protein (called p21) has been determined using the HDMC (High-directional Monte Carlo) method combined with MD (molecular dynamics) simulation. A truncated p21
Publikováno v:
International Journal of Quantum Chemistry. 51:241-254
High-directional Monte Carlo (HDMC) simulations are performed to investigate the behavior of water molecules in the catalytic sites of human ras p21 proteins and the results are compared among three types of hydrated ras p21 proteins: the normal ras
Publikováno v:
Journal of Molecular Structure. 323:233-242
The occurrence of cis imide bonds in proteins is much higher than that of cis amide bonds due to the unique properties of proline. In order to examine the relationship between the high occurrence of these cis imide bonds and the residues preceding th
Publikováno v:
Journal of Molecular Structure. 295:185-192
In order to examine in detail the effect of ionizable residues on the stability of α-helical structures, we have performed molecular dynamics simulations on melittin under controlled pH using a macroscopic dielectric model. We simulated at + 3-charg
Autor:
Jae Kwang Shin, Mu Shik Jhon
Publikováno v:
Supramolecular Chemistry. 1:139-143
A new Monte Carlo sampling scheme, namely High Directional Monte Carlo procedure, is used to obtain the global energy minimum conformations of polypeptides such as enkephalin and melittin. The resultant structures of enkephalin and melittin agree wel
Publikováno v:
The Journal of Chemical Physics. 97:9283-9290
A new Monte Carlo sampling scheme which estimates the shape of an energy hypersurface as a covariance tensor to generate variable Monte Carlo steps, is developed. The feasibility of this method is tested on 256 Lennard‐Jones particles at T*=0.719,
The structural variation and probability redistribution in alanine dipeptide conformers by hydration
Publikováno v:
Journal of Molecular Structure. 268:169-179
The effects on structural variation and relative stability caused by hydration of alanine dipeptide in the C eq 7 , C ax 7 , C 5 , α R and P II conformations were investigated by the method of the SUMSL (secant-type unconstrained minimization solver