Computational Biophysics & Nanoscience Lab.
@ Chemical Engineering, Dankook University, South Korea
PUBLICATIONS (*corresponding author)
H-INDEX: 30 Sum of the Times Cited: 4197
At Dankook University (Mar./2011 ~ present)
78. Choi C; Yim D; Kim HK; Jeon SJ; Hwang IJ; KIm H; So Y; Lee S; Yu Y; Choi Y; Lee H; Yang CS*; Kim JH*.
Crystalline carbon antioxidase mimics enhancing innate anti-inflammatory immunity for the treatment of rheumatoid arthritis.
Submitted.
77. Lee H*. Separation of protein corona from nanoparticles under intracellular acidic conditions: effect of protonation
on nanoparticle-protein and protein-protein interactions.
Physical Chemistry Chemical Physics, 2024. 26:4000-4010
76. Lee H*. Differences in protein distribution, conformation, and dynamics in hard and soft coronas: dependence on protein and
particle electrostatics.
Physical Chemistry Chemical Physics, 2023. 25:7496-7507
75. Lee H*; Moon H; Kim HR*.
Effects of lipid shape and interactions on the conformation, dynamics, and curvature of ultrasound-responsive liposomes.
Pharmaceutics, 2022. 14:1512
74. Maity A; De SK; Bagchi D; Lee H*; Chakraborty A*. Mechanistic pathway of lipid phase-dependent lipid corona formation on
phenylalanine-functionalized gold nanoparticles: a combined experimental and molecular dynamics simulation study.
J. of Physical Chemistry B, 2022. 126:2241-2255
73. Lee S; Kang TW; Hwang IJ; Kim HI; Jeon SJ; Yim DB; Choi C; Son W; Kim H; Yang CS; Lee H*; Kim JH*. Transition metal
dichalcogenide artificial antibodies with multivalent polymeric recognition phases for rapid detection and inactivation of pathogens.
J. of the American Chemical Society, 2021. 143:14635-14645
(JCR top 7%; IF = 16.383; highlighted on the supplementary cover)
72. Kang TW; Hwang IJ; Lee S; Jeon SJ; Choi C; Han J; So Y; Son W; Kim H; Yang CS; Park JH; Lee H*; Kim JH*.
Multivalent nanosheet antibody mimics for selective microbial recognition and inactivation.
Advanced Materials, 2021. 33:2101376
(JCR top 2%; IF = 32.086; highlighted on the Frontispiece)
71. Choi W; Park S; Kwon JS; Jang EY; Kim JY; Heo J; Hwang YD; Kim BS; Moon JH; Jung S; Choi SH*; Lee H*; Ahn HW*; Hong J*.
Reverse actuation of polyelectrolyte effect for in vivo antifouling.
ACS Nano, 2021. 15:6811-6828
(JCR top 5%; IF = 18.027)
70. You T; Jeong W; Lee H; Huh YS; Kim SM*; Jeon TJ*.
A simple strategy for signal enhancement in lateral flow assays using superabsorbent polymers.
Microchimica Acta, 2021. 188:364
(JCR top 10%; IF = 5.833)
69. Lee H*. Effect of protein corona on the nanoparticle-lipid membrane binding: the binding strength and dynamics.
Langmuir, 2021. 37:3751-3760
68. Lee H*. All-atom simulations and free-energy calculations of antibodies bound to the spike protein of SARS-CoV-2:
the binding strength and multivalent hydrogen-bond interactions.
Advanced Theory and Simulations, 2021. 4:2100012
67. Jeong KB; You SM; Park JS, Luo K, Hwang IS, Lee H; Kim YR*. Topological analysis of single-stranded DNA with an alpha-hederin nanopore.
Biosensors and Bioelectronics, 2021. 171:112711
(JCR top 1%; IF = 12.545)
66. Lee H*. Molecular modeling of protein corona formation and its interactions with nanoparticles and cell membranes
for nanomedicine applications.
Pharmaceutics, 2021. 13:637
(JCR top 10%; IF = 6.321)
65. Jang J; Woo SY; Lee H*; Lee E*; Kim SH*; Hong JI*.
Supramolecular functionalization for improving thermoelectric properties of single-walled carbon nanotubes-small organic molecule hybrids.
ACS Applied Materials & Interfaces, 2020. 12:51387-51396
(JCR top 9%; IF = 8.456)
64. Lee H*. Effects of nanoparticle electrostatics and protein-protein interactions on corona formation: conformation and hydrodynamics.
Small, 2020. 16:1906598
(JCR top 7%; IF = 13.281; highlighted on the Back Cover)
63. Choi W; Jin J; Park S; Kim J; Lee M; Sun H; Kwon J; Lee H*; Choi S*; Hong J*.
Quantitative interpretation of hydration dynamics enabled the fabrication of zwitterionic antifouling surface.
ACS Applied Materials & Interfaces, 2020. 12:7951-7965
(JCR top 9%; IF = 8.456)
62. Lee H*. Molecular simulations of PEGylated biomolecules, liposomes, and nanoparticles for drug delivery applications.
Pharmaceutics, 2020. 12:533
(JCR top 10%; IF = 6.321)
61. Lee H*. Heterodimer and pore formation of magainin 2 and PGLa: the anchoring and tilting of peptides in lipid bilayers.
Biochimica et Biophysica Acta - Biomembranes, 2020. 1862:183305
60. Sarker M; Lee H; Goncalves RA; Lam YM, Su H, Lim S*. Supramolecular protein assembly retains its structural integrity at liquid-liquid interface.
Advanced Materials Interfaces, 2020. 7:1901674
59. Choi D; Kim H; Kim D; Heo J; Lee H*; Lee JB*; Hong J*. Self-assembled DNA hallow spheres from microsponges.
Biofabrication, 2019. 11:025016
(JCR top 4%; IF = 7.236)
58. Jeong KB; Luo K; Lee H; Lim MC; Yu J; Choi SJ; Kim KB; Jeon TJ; Kim YR*. Alpha-hederin nanopore for single-nucleotide discrimination.
ACS Nano, 2019. 13:1719-1727
(JCR top 4%; IF = 13.903)
57. Lee H*. Effects of hydrophobic and hydrogen-bond interactions on the binding affinity of antifreeze proteins to specific ice planes.
J. Molecular Graphics and Modelling. 2019. 87:48-55
56. Lee H*; Lim S. Disassembly and trimer formation of E2 protein cage: the effects of C-terminus, salt, and protonation state.
J. Physics D: Applied Physics, 2018. 51:365402
55. Lee H*; Malmstadt N. Effect of low levels of lipid oxidation on the curvature, dynamics, and permeability of lipid bilayers and their interactions
with cationic nanoparticles.
J. Physics D: Applied Physics, 2018. 51:164002
54. Lee H*. Structures, dynamics, and hydrogen-bond interactions of antifreeze proteins in TIP4P/Ice water and their dependence on force fields.
PLoS ONE, 2018. 13:e0198887
53. Woo SY; Lee H*. Effect of lipid shape on toroidal pore formation and peptide orientation in lipid bilayers.
Physical Chemistry Chemical Physics, 2017. 19:21340-21349
(Selected as 2017 PCCP HOT article)
52. Yu K; Yau YH; Sinha A; Tan T; Kickhoefer V; Rome L; Lee H; Shochat SG; Lim S*. Modulation of the vault protein-protein interaction for tuning of
molecular release.
Scientific Reports, 2017. 7:14816
51. Lee H*; Lee YK. Effects of asphaltene structure and tetralin/heptane solvent ratio on the size and shape of asphaltene aggregates.
Physical Chemistry Chemical Physics, 2017. 19:13931-13940
50. Choi M; Park H; Choi D; Han U; Park TH; Lee H; Park J; Hong J*. Multilayer nanofilms via inkjet printing for stabilizing growth factor and
designing desired cell.
Advanced Healthcare Materials, 2017. 6:1700216
(JCR top 8%; IF = 6.270)
49. Jeong H; Hwang J; Lee H; Hammond P; Choi J, Hong J*. In vitro blood cell viability profiling of polymers used in molecular assembly.
Scientific Reports, 2017. 7:9481
48. Woo SY; Lee H*. Aggregation and insertion of melittin and its analogue MelP5 into lipid bilayers at different concentrations: effects on pore size,
bilayer thickness and dynamics.
Physical Chemistry Chemical Physics, 2017. 19:7195-7203
47. Choi D; Lee H; Kim H; Yang M; Heo J; Won Y; Jang SS; Park JK; Son Y; Oh TI; Lee E; Hong J*. Cytoprotective self-assembled RGD peptide
nanofilms for surface modification of viable mesenchymal stem cells.
Chemistry of Materials, 2017. 29:2055-2065
(JCR top 8%; IF = 10.159)
46. Kim SH; Kim KD; Lee H; Lee YK*. Beneficial Roles of H-donors as diluent and H-shuttle for asphaltenes in catalytic upgrading of vacuum
residue.
Chemical Engineering Journal, 2017. 314:1-10
(JCR top 5%; IF = 8.355)
45. Lee H*. Adsorption of plasma proteins onto PEGylated single-walled carbon nanotubes: the effects of protein shape, PEG size and grafting
density.
J. Molecular Graphics and Modelling. 2017. 75:1-8
44. Lee H*; Larson RG. Adsorption of plasma proteins onto PEGylated lipid bilayers: the effect of PEG size and grafting density.
Biomacromolecules, 2016. 17:1757-1765
(JCR top 7%; IF = 5.750; Highlighted in American Chemical Society Editors’ Choice)
43. Lee H*. Effect of temperature, salt concentration, and protonation state on the dynamics and hydrogen-bond interactions of polyelectrolyte
multilayers on lipid membranes.
Physical Chemistry Chemical Physics, 2016. 18:6691-6700
42. Woo SY; Lee H*. All-atom simulations and free energy calculations of coiled-coil peptides with lipid bilayers: the binding strength, structural
transition, and effect on lipid dynamics.
Scientific Reports, 2016. 6:22299
41. Lee H*. Effect of polyelectrolyte size on multilayer conformation and dynamics at different temperatures and salt concentrations.
J. Molecular Graphics and Modelling. 2016. 70:246-252
40. Ryu H; Lee H; Iwata S; Choi S; Kim MK; Kim YR; Maruta S; Kim SM*; Jeon TJ*. Investigation of ion channel activities of Gramicidin A in the
presence of ionic liquids using model cell membranes.
Scientific Reports, 2015. 5:11935
39. Lee H*; Jeon TJ. The binding and insertion of imidazolium-based ionic surfactants into lipid bilayers: the effects of surfactant size and salt
concentration.
Physical Chemistry Chemical Physics, 2015. 17:5725-5733
38. Han E; Lee H*. Synergistic effects of magainin 2 and PGLa on their heterodimer formation, aggregation, and insertion into the bilayer.
RSC Advances. 2015. 5:2047-2055
37. Lee H*; Kim SM; Jeon TJ. Effects of imidazolium-based ionic liquids on the stability and dynamics of gramicidin A and lipid bilayers at different
salt concentrations.
J. Molecular Graphics and Modelling. 2015. 61:53-60
36. Lee H*. Effects of imidazolium-based ionic surfactants on the size and dynamics of phosphatidylcholine bilayers with saturated and unsaturated
chains.
J. Molecular Graphics and Modelling. 2015. 60:162-168
35. Han E; Lee H*. Structural effects of Tachyplesin I and its linear derivative on their aggregation and mobility in lipid bilayers.
J. Molecular Graphics and Modelling. 2015. 59:123-128
34. Peng T; Lee H; Lim S*, Design of a reversible inversed pH-responsive caged protein.
Biomaterials Science. 2015. 3:627-635
33. Lee H*. Dispersion of single-walled carbon nanotubes modulated by the PEG size and density, and PEGylation method.
Molecular Simulation. 2015. 41:1254-1263
32. Woo SY; Lee H*. Molecular dynamics studies of PEGylated a-helical coiled coils and their self-assembled micelles.
Langmuir. 2014. 30:8848-8855
31. Park SM; Cha JM; Nam J; Kim MS; Park SJ; Park ES; Lee H; Kim HR*. Formulation optimization and in vivo proof-of-concept study of
thermosensitive liposomes balanced by phospholipid, elastin-like polypeptide, and cholesterol.
PLoS ONE. 2014. 9:e103116-e103116
30. Lee H*. Molecular modeling of PEGylated peptides, dendrimers, and single-walled carbon nanotubes for biomedical applications.
Polymers, 2014. 6:776-798
29. Lee H*; Kim HR; Park JC. Dynamics and stability of lipid bilayers modulated by thermosensitive polypeptides, cholesterols, and PEGylated
lipids.
Physical Chemistry Chemical Physics, 2014. 16:3763-3770
28. Han E; Lee H*. Effect of the structural difference of Bax-a5 and Bcl-xL-a5 on their interactions with lipid bilayers.
Physical Chemistry Chemical Physics, 2014. 16:981-988
27. Lee H*. Molecular dynamics studies of PEGylated single-walled carbon nanotubes: the effect of PEG size and grafting density.
J. Physical Chemistry C., 2013. 117:26334-26341
26. Han E; Lee H*. The effects of PEGylation on the binding interaction of magainin 2 and tachyplesin I with lipid bilayer surface.
Langmuir. 2013. 29:14214-14221
25. Lee H*. Membrane penetration and curvature induced by single-walled carbon nanotues: the effect of diameter, length, and concentration.
Physical Chemistry Chemical Physics, 2013. 15:16334-16340
24. Park S; Lee H*; Lee SY*. Effect of peptide conformation on TiO2 biomineralization.
Dalton Transactions, 2013. 42:13817-13820
23. Kim M; Kim HR; Chae SY; Larson RG; Lee H*; Park JC, Effect of arginine-rich peptide length on the structure and binding strength of siRNA-
peptide complexes.
J. Physical Chemistry B., 2013. 117:6917-6926
22. Lee H*, Interparticle dispersion, membrane curvature and penetration induced by single-walled carbon nanotubes wrapped with lipids and
PEGylated lipids.
J. Physical Chemistry B., 2013. 117:1337-1344
21. Lee H*; Kim HR*; Larson RG; Park JC, Effects of the size, shape, and structural transition of thermosensitive polypeptides on the stability of
lipid bilayers and liposomes.
Macromolecules, 2012, 45:7304-7312
(JCR top 6%; IF = 5.997)
20. Lee H*; Kim H, Self-assembly of lipids and single-walled carbon nanotubes: effects of lipid structure and PEGylation.
J. Physical Chemistry C., 2012, 116:9327-9333
19. Peng T; Lee H; Lim S*, Isolating a trimer intermediate in the self-assembly of E2 protein cage.
Biomacromolecules. 2012, 13:699-705
(JCR top 7%; IF = 5.750)
18. Lee H*, Effects of salt on the size and internal structure of PAMAM dendrimers at different pH.
Molecular Simulation, 2012. 38:589-594
17. Lee H*, Self-assembly of mixtures of a dendrimer and lipids: effects of hydrophobicity and electrostatics.
Molecular Simulation, 2012. 38:534-539
16. Lee H*; Choi JS; Larson RG, Molecular dynamics studies of the size and internal structure of the PAMAM dendrimer grafted with arginine and
histidine.
Macromolecules, 2011, 44:8681-8686
(JCR top 6%; IF = 5.997)
15. Lee H*; Larson RG, The effects of PEGylation on the size and internal structure of dendrimers: self-penetration of long PEG chains into the
dendrimer core.
Macromolecules, 2011, 44:2291-2298
(JCR top 6%; IF = 5.997)
14. Lee H*; Pastor RW, Coarse-grained model for PEGylated lipids: effects of PEGylation on the size and shape of self-assembled structures.
J. Physical Chemistry B., 2011, 115:7830-7837
13. Lee H*; Larson RG, Membrane pore formation induced by acetylated and polyethylene glycol-conjugated PAMAM dendrimers.
J. Physical Chemistry C., 2011, 115:5316-5322
Before joining Dankook University
12. Lee H*; Larson RG, Molecular dynamics study of the structure and interparticle interactions of polyethylene glycol-conjugated PAMAM
dendrimers.
J. Physical Chemistry B., 2009, 113:13202-13207
11. Lee H*; Larson RG, Multiscale modeling of dendrimers and their interactions with bilayers and polyelectrolytes.
Molecules, 2009, 14:423-438
10. Lee H; de Vries AH; Marrink SJ; Pastor RW*, A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and
hydrodynamics.
J. Physical Chemistry B., 2009, 113:13186-13194
9. Lee H*; Larson RG, Lipid bilayer curvature and pore formation induced by charged linear polymers and dendrimers: the effect of molecular shape.
J. Physical Chemistry B., 2008, 112:12279-12285
8. Lee H*; Larson RG, Coarse-grained molecular dynamics studies of the concentration and size dependence of fifth- and seventh-generation
PAMAM dendrimers on pore formation in DMPC bilayer.
J. Physical Chemistry B., 2008, 112:7778-7784
7. Low C; Weininger U; Lee H; Schweimer K; Neundorf I; Beck-Sickinger AG; Pastor RW; Balbach J*, Structure and dynamics of helix-0 of the N-
BAR domain in lipid micelles and bilayers.
Biophysical J., 2008, 95:4315-4323
6. Lee H; Venable RM; MacKerell AD; Pastor RW*, Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius
and shape anisotropy.
Biophysical J., 2008, 95:1590-1599
5. Lee H; Larson RG*. Prediction of the stability of coiled coils using molecular dynamics simulations.
Molecular Simulation, 2007, 33:463-473
4. Lee H; Larson RG*. Molecular dynamics simulations of PAMAM dendrimer-induced pore formation in DPPC bilayers with a coarse-grained model.
J. Physical Chemistry B., 2006, 110:18204-18211
3. Sayer JA; Otto EA; O’toole JF; Nurnberg G; Kennedy MA; Becker C; Hennies HC; Helou J; Attanasio M; Fausett BV; Utsch B; Khanna H; Liu Y;
Drummond I; Kusakabe T; Ma L; Lee H; Larson RG; Hildebrandt F* et al., The centrosomal protein nephrocystin-6 is mutated in Joubert
syndrome and activates transcription factor ATF4.
Nature Genetics, 2006, 38:674-681
2. Lee H; Baker JR; Larson RG*. Molecular dynamics studies of the size, shape, and internal structure of 0% and 90%-acetylated G5 PAMAM
dendrimers in water and methanol.
J. Physical Chemistry B., 2006, 110:4014-4019
1. Lee H; Kandasamy SK; Larson RG*. Molecular dynamics simulations of the anchoring and tilting of the lung-surfactant peptide SP-B1-25 in
palmitic acid monolayers.
Biophysical J., 2005, 89:3807-3821
CHAPTERS IN BOOKS
Kandasamy SK, Lee H, and Larson RG, “Computer simulations of dendrimers”. Invited chapter in the book “Dendrimer-based nanomedicine” edited by James Baker, Jr., Istvan Majoros., Pan Stanford publishing, 2008