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Myungshim Kang
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Recent applications of Kirkwood–Buff theory to biological systems
V Pierce, M Kang, M Aburi, S Weerasinghe, PE Smith
Cell biochemistry and biophysics 50, 1-22, 2008
2172008
N-(3-Acyloxy-2-benzylpropyl)-N‘-[4-(methylsulfonylamino)benzyl]thiourea Analogues:  Novel Potent and High Affinity Antagonists and Partial Antagonists of the …
J Lee, J Lee, M Kang, M Shin, JM Kim, SU Kang, JO Lim, HK Choi, ...
Journal of medicinal chemistry 46 (14), 3116-3126, 2003
1662003
Inhibition of mouse skin tumor promotion by anti-inflammatory diarylheptanoids derived from Alpinia oxyphylla Miquel (Zingiberaceae).
KS Chun, KK Park, J Lee, M Kang, YJ Surh
Oncology research 13 (1), 37-45, 2002
892002
A kirkwood‐buff derived force field for amides
M Kang, PE Smith
Journal of computational chemistry 27 (13), 1477-1485, 2006
782006
Preferential interaction parameters in biological systems by Kirkwood–Buff theory and computer simulation
M Kang, PE Smith
Fluid Phase Equilibria 256 (1-2), 14-19, 2007
602007
π–π stacking mediated chirality in functional supramolecular filaments
M Kang, P Zhang, H Cui, SM Loverde
Macromolecules 49 (3), 994-1001, 2016
472016
Molecular simulations of peptide amphiphiles
A Manandhar, M Kang, K Chakraborty, PK Tang, SM Loverde
Organic & biomolecular chemistry 15 (38), 7993-8005, 2017
452017
Molecular simulation of the concentration-dependent interaction of hydrophobic drugs with model cellular membranes
M Kang, SM Loverde
The Journal of Physical Chemistry B 118 (41), 11965-11972, 2014
412014
Gating and intermolecular interactions in ligand-protein association: coarse-grained modeling of HIV-1 protease
M Kang, C Roberts, Y Cheng, CA Chang
Journal of chemical theory and computation 7 (10), 3438-3446, 2011
372011
MspA porin− gold nanoparticle assemblies: enhanced binding through a controlled cysteine mutation
RK Dani, M Kang, M Kalita, PE Smith, SH Bossmann, V Chikan
Nano Letters 8 (4), 1229-1236, 2008
362008
Kirkwood–Buff theory of four and higher component mixtures
M Kang, PE Smith
The journal of chemical physics 128 (24), 2008
262008
Analysis of structure–activity relationships with the N-(3-acyloxy-2-benzylpropyl)-N′-[4-(methylsulfonylamino) benzyl] thiourea template for vanilloid receptor 1 antagonism
J Lee, SY Kim, J Lee, M Kang, MJ Kil, HK Choi, MK Jin, Y Wang, A Toth, ...
Bioorganic & medicinal chemistry 12 (13), 3411-3420, 2004
252004
Molecular mechanism for the role of the H2A and H2B histone tails in nucleosome repositioning
K Chakraborty, M Kang, SM Loverde
The Journal of Physical Chemistry B 122 (50), 11827-11840, 2018
242018
Switches of hydrogen bonds during ligand–protein association processes determine binding kinetics
YM Huang, M Kang, CA Chang
Journal of Molecular Recognition 27 (9), 537-548, 2014
242014
Developing force fields from the microscopic structure of solutions: The Kirkwood–Buff approach
S Weerasinghe, MB Gee, M Kang, N Bentenitis, PE Smith
Modeling solVent enVironments: applications to simulations of biomolecules …, 2010
212010
The paradox of conformational constraint in the design of Cbl (TKB)-binding peptides
EA Kumar, Q Chen, S Kizhake, C Kolar, M Kang, CA Chang, ...
Scientific reports 3 (1), 1639, 2013
202013
Direct observation of gold nanoparticle assemblies with the porin MspA on mica
MT Basel, RK Dani, M Kang, M Pavlenok, V Chikan, PE Smith, ...
ACS nano 3 (2), 462-466, 2009
202009
Coarse-grained molecular dynamics studies of the structure and stability of peptide-based drug amphiphile filaments
M Kang, H Cui, SM Loverde
Soft Matter 13 (42), 7721-7730, 2017
172017
Structure–activity relationships of simplified resiniferatoxin analogues with potent VR1 agonism elucidates an active conformation of RTX for VR1 binding
J Lee, SY Kim, S Park, JO Lim, JM Kim, M Kang, J Lee, SU Kang, HK Choi, ...
Bioorganic & medicinal chemistry 12 (5), 1055-1069, 2004
172004
Kirkwood–Buff-derived force field for peptides and proteins: philosophy and development of KBFF20
EA Ploetz, S Karunaweera, N Bentenitis, F Chen, S Dai, MB Gee, Y Jiao, ...
Journal of Chemical Theory and Computation 17 (5), 2964-2990, 2021
132021
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