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Showing results 1 to 13 of 13

Issue Date	Title / Author(s) / Citation	File	Altmetrics
2008-02	Structural basis of functional conversion of a floral repressor to an activator: A molecular dynamics simulation study Kang, Suk Ki; Lee, Ju Yong; Lee, Myeong Sup; Seok, Cha Ok Bulletin of the Korean Chemical Society, Vol.29 No.2, pp.408-412	DOI
2008-02	A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect Lee, Ju Yong; Seok, Chaok PROTEINS : Structure, Function, and Bioinformatics, Vol.70 No.3, pp.1074-1083	DOI
2010-06	Cooperativity and Specificity of Cys2His2 Zinc Finger Protein-DNA Interactions: A Molecular Dynamics Simulation Study Lee, Ju Yong; Kim, Jin-Soo; Seok, Chaok The Journal of Physical Chemistry B, Vol.114 No.22, pp.7662-7671	DOI
2010-08	Transition between B-DNA and Z-DNA: Free Energy Landscape for the B-Z Junction Propagation Lee, Ju Yong; Kim, Yang Gyun; Kim, Kyeong Kyu; Seok, Chaok The Journal of Physical Chemistry B, Vol.114 No.30, pp.9872-9881	DOI
2011-08	De novo protein structure prediction by dynamic fragment assembly and conformational space annealing Lee, Ju Yong; Lee, Jin Hyuk; Sasaki, Takeshi N.; Sasai, Masaki; Seok, Chaok; Lee, Joo Young PROTEINS : Structure, Function, and Bioinformatics, Vol.79 No.8, pp.2403-2417	DOI
2011-11	LigDockCSA: Protein-Ligand Docking Using Conformational Space Annealing Shin, Woong-Hee; Heo, Lim; Lee, Ju Yong; Ko, Jun Su; Seok, Chaok; Lee, Joo Young Journal of Computational Chemistry, Vol.32 No.15, pp.3226-3232	DOI
2012-11	Contribution of Counterion Entropy to the Salt-Induced Transition Between B-DNA and Z-DNA Lee, Youn Kyoung; Lee, Ju Yong; Choi, Jung Hyun; Seok, Chaok Bulletin of the Korean Chemical Society, Vol.33 No.11, pp.3719-3726	DOI
2013-04	What stabilizes close arginine pairing in proteins? Lee, Dong Seon; Lee, Ju Yong; Seok, Chaok Physical Chemistry Chemical Physics, Vol.15 No.16, pp.5844-5853	DOI
2017-01	Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge Lee, Ju Yong; Tofoleanu, Florentina; Pickard, Frank C.; Konig, Gerhard; Huang, Jing; Damjanovic, Ana; Baek, Minkyung; Seok, Chaok; Brooks, Bernard R. Journal of Computer-Aided Molecular Design, Vol.31 No.1, pp.71-85	DOI
2017-01	Absolute binding free energies for octa-acids and guests in SAMPL5 Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge Tofoleanu, Florentina; Lee, Ju Yong; Pickard, Frank C.; Koenig, Gerhard; Huang, Jing; Baek, Minkyung; Seok, Chaok; Brooks, Bernard R. Journal of Computer-Aided Molecular Design, Vol.31 No.1, pp.107-118	DOI
2020-12	Prediction of Molecular Electronic Transitions Using Random Forests Kang, Beomchang; Seok, Chaok; Lee, Ju Yong Journal of Chemical Information and Modeling, Vol.60 No.12, pp.5984-5994	DOI
2021-10	MOLGENGO: Finding Novel Molecules with Desired Electronic Properties by Capitalizing on Their Global Optimization Kang, Beomchang; Seok, Chaok; Lee, Ju Yong ACS Omega, Vol.6 No.41, pp.27454-27465	DOI
2022-03	A benchmark study of machine learning methods for molecular electronic transition: Tree-based ensemble learning versus graph neural network Kang, Beomchang; Seok, Chaok; Lee, Ju Yong Bulletin of the Korean Chemical Society, Vol.43 No.3, pp.328-335	DOI

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