Publications

1. R. Chang and W. Shin, “N-[2-(N '-hydroxy-N-oxidodiaziniumyl)-3-methylbutyl] octanamide”, Acta Crystallogr. C, 54, 827, 1998.

2. R. Chang and A. Yethiraj, “Solvent effects on the collapse dynamics of polymers”, J. Chem. Phys., 114, 7688, 2001.

3. R. Chang and A. Yethiraj, “Brownian dynamics simulations of salt-free polyelectrolyte solutions”, J. Chem. Phys., 116, 5284, 2002.

4. K. Jagannathan, R. Chang, and A. Yethiraj, “A Monte Carlo study of the self-assembly of bacteriorhodopsin”, Biophys. J., 83, 1902, 2002.

5. R. Chang and A. Yethiraj, “Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent”, J. Chem. Phys., 118, 6634, 2003.

6. R. Chang and A. Yethiraj, “Brownian dynamics simulations of polyelectrolyte solutions with divalent counterions”, J. Chem. Phys., 118, 11315, 2003.

7. R. Chang and A. Yethiraj, “The behavior of salt-free polyelectrolyte solutions at charged surfaces”, Prog. Org. Coat., 47, 331, 2003

8. R. Chang, K. Jagannathan and A. Yethiraj, “Diffusion of hard sphere fluids in disordered media: A molecular dynamics simulation study”, Phys. Rev. E, 69, 051101, 2004.

9. Patra C., R. Chang, and A. Yethiraj, “Structure of polyelectrolyte solutions at a charged surface”, J. Phys. Chem. B, 108, 9126, 2004.

10. R. Chang and A. Yethiraj, “Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study”, Macromolecules, 38, 607, 2005.

11. R. Chang, G. S. Ayton, and G. A. Voth, “Multiscale coupling of mesoscopic- and atomistic-level lipid bilayer simulations”, J. Chem. Phys., 122, 244716, 2005.

12. R. Chang and A. Yethiraj, “Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent”, Macromolecules, 39, 821, 2006.

13. R. Chang and A. Violi, “Insights into the effect of carbon nanoparticles on biological membranes: A Computer simulation study”, J. Phys. Chem. B, 110, 5073, 2006.

14. G. Reddy, A. Yethiraj, and R. Chang, “Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent”, J. Chem. Theory Comput., 2, 630, 2006.

15. R. Chang and A. Yethiraj, “Dynamics of chain molecules in disordered materials”, Phys. Rev. Lett, 96, 107802, 2006.

16. R. Chang and A. Yethiraj, “Structure and dynamics of chain molecules in disordered porous materials”, J. Chem. Phys. 126, 174906, 2007.

17. Y. H. Jhon, M. Cho, H. R. Jeon, I. Park, R. Chang, J. L. C. Rowsell, and J. Kim, “Simulations of Methane Adsorption and Diffusion within Alkoxy-Functionalized IRMOFs Exhibiting Severely Disordered Crystal Structures”, J. Phys. Chem. C 111, 16618, 2007.

18. S. Choi, R. Chang, J. Jeon, and A, Violi, “Molecular Dynamics Simulation Study of a Pulmonary Surfactant Film Interacting with a Carbonaceous Nanoparticle”, Biophys. J. 95, 4102-4114, 2008.

19. B. J. Sung, R. Chang, and A. Yethiraj, “Swelling of polymers in porous media”, J. Chem. Phys. 130, 124901, 2009.

20. R. Chang, Y. Kwak, and Y. Gebremichael, “Structural Properties of Neurofilament Sidearms: Sequence-Based Modeling of Neurofilament Architecture”, J. Mol. Biol. 391, 648-660, 2009.

21. J-H Han, E. Lee, S. Park, R. Chang, and T. D. Chung, “Effect of Nanoporous Structure on Enhanced Electrochemical Reaction”, J. Phys. Chem. C, 114, 9546-9553, 2010.

22. R. Chang and J. Lee, “Dynamics of C60 Molecules in Biological Membranes: Computer Simulation Studies”, Bull. Korean Chem. Soc, 31, 3195-3200, 2010.

23. W. Stevenson, R. Chang, and Y. Gebremichael, “Phosphorylation-Mediated Conformational Changes of the Mouse Neurofilament Architecture: Insight from Neurofilament Brush Model”, J. Mol. Biol. 405, 1101-1118, 2011.

24. Kim et al., “Nanochannel confinement: DNA stretch approaching full contour length”, Lap on a Chip 11, 1721-1729, 2011. (Cover)

25. S. Kim, R. Chang, C. Teunissen, Y. Gebremichael, and A. Petzold, “Neurofilament stoichiometry simulations during neurodegeneration suggest a remarkable self-sufficient and stable in vivo protein structure”, J. Neurol. Sci. 307, 132-138, 2011.

26. R. Chang and K. Jo, “DNA conformation in nanochannels: Monte Carlo simulation studies using a primitive DNA model”, J. Chem. Phys. 136, 095101, 2012.

27. E. Lee, R. Chang, J.-H. Han, and T. D. Chung, “Effect of Pore Geometry on Gas Adsorption: Grand Canonical Monte Carlo Simulation Studies”, Bull. Korean Chem. Soc. 33, 901-905, 2012.

28. D. M. Barry, W. Stevenson, B. G. Bober, P. J. Wiese, J. M. Dale, G. S. Barry, N. S. Byers, J. D. Strope, R. Chang, D. J. Schulz, S. Shah, N. A. Calcutt, Y. Gebremichael, and M. L. Garcia, “Expansion of neurofilament medium C terminus increases axonal diameter independent of increases in conduction velocity or myelin thickness”, J. Neurosci. 32, 6209-6219, 2012.

29. R. Chang, A. Gross, and J.-W. Chu, “Degree of polymerization of glucan chains shapes the structure fluctuations and melting thermodynamics of a cellulose microfibril”, J. Phys. Chem. B 116, 8074-8083. 2012.

30. L. Jayanthi, W. Stevenson, Y. Kwak, R. Chang, and Y. Gebremichael, “Conformational properties of interacting neurofilaments: Monte Carlo simulation of cylindrically grafted apposing neurofilament brushes”, J. Biol. Phys. 39, 343-362, 2013.

31. J. Lee, S. Kim, R. Chang, L. Jayanthi, and Y. Gebremichael, “Effects of molecular model, ionic strength, divalent ions, and hydrophobic interactions on neurofilament conformation”, J. Chem. Phys. 138, 015103, 2013.

32. B. W. Jeon, J. Lee, H. S. Kim, D. H. Cho, H. Lee, R. Chang, and Y. H. Kim, “Lipase-catalyzed enantioselective synthesis of (R,R)-lactide from alkyl lactate to produce PDLA (poly D-lactic acid) and stereocomplex PLA (poly lactic acid)”, J. Biotechnol. 168, 201-207, 2013.

33. B. Z. Shang, R. Chang, and J.-W. Chu, “Systems-level modeling with molecular resolution elucidates the rate-limiting mechanisms of cellulose decomposition by cellobiohydrolases”, J. Biol. Chem. 288, 29081-29089, 2013.

34. S. Lee, J. Lee, M. Lee, Y. K. Cho, J. Baek, J. Kim, S. Park, M. H. Kim, R. Chang, and J. Yoon, “Construction and Molecular Understanding
of an Unprecedented, Reversibly Thermochromic Bis-Polydiacetylene”, Adv. Funct. Mater. 24, 3699-3705, 2014. (Back Cover)

35. Y. Kim, Y. Kwak, and R. Chang, “Structural and thermodynamical effects of PAMAM dendrimers on biological membranes”, J. Phys. Chem. B 118, 6792-6802, 2014.

36. H. Kang, Y. Kim, I. Choi, R. Chang, and W.-S. Yeo, “Determination of self-exchange rate of alkanethiolates in self-assembled monolayers on gold using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry”, Anal. Chim. Acta 843, 38-45, 2014.

37. J. Lee, S. Kim, H. Jeong, G. Y. Jung, R. Chang, Y.-L. Chen, and K. Jo, “Nanoslit Confined DNA at Low Ionic Strengths”, ACS Macro Lett. 3, 926-930, 2014.

38. H. Choe et al., “Structural insights into the efficient CO2-reducing activity of an NAD-dependent formate dehydrogenase from Thiobacillus sp. KNK65MA”, Acta Crystallogr. D 71, 313-323, 2015.

39. Q. A. Tuan Le, S. Kim, R. Chang, and Y. H. Kim, “Insights into the Lactonase Mechanism of Serum Paraoxonase 1 (PON1): Experimental and Quantum Mechanics/Molecular Mechanics (QM/MM) Studies”, J. Phys. Chem. B 119, 9571-9585, 2015.

40. Q. A. Tuan Le, R. Chang, and Y. H. Kim, “Rational design of paraoxonase 1 (PON1) for the efficient hydrolysis of organophosphates”, Chem. Comm. 51, 14536-14539, 2015.

41. H. J. Kim et al., “Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells”, Proc. Nat. Acad. Sci (USA) 112, 12372-12377, 2015.

42. R. Chang, Y. Kim, and A. Yethiraj, “Osmotic Pressure of Polyelectrolyte Solutions with Salt: Grand Canonical Monte Carlo Simulation Studies”, Macromolecules 48, 7370-7377, 2015.

43. H. J. Kim et al., “Biochemical and Molecular Modeling Studies of the Interaction between Human CEP55 and TEX14”, Bull. Korean. Chem. Soc., 37, 847-854, 2016.

44. S. Kim and R. Chang, “Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies”, Bull. Korean. Chem. Soc., 37, 1076-1085, 2016.

45. I. Choi et al., “On-Demand Modulation of Bacterial Cell Fates on Multifunctional Dynamic Substrates”, ACS Appl. Mater. Interfaces, 10, 4324-4332, 2018.

46. S. Kim, J. Lee, and R. Chang, “Plasma-Induced Water Pore Formation in Model Cell Membranes: Molecular Dynamics Simulation”, Bull. Korean. Chem. Soc., 39, 516-523, 2018.

47. E. Zucchi et al., “A Motor Neuron Strategy to Save Time and Energy in Neurodegeneration: Adaptive Protein Stoichiometry”, J. Neurochem., 146, 631-641, 2018.

48. D. Lim et al., “Application of Molecular Dynamics Simulation to Improve the Theoretical Prediction for Collisional Cross Section of Aromatic Compounds with Long Alkyl Chains in Crude Oils”, Rapid Commun. Mass Spectrom., 33, 650-656, 2019.

49. S. Lee et al., “Nanochannel-Confined TAMRA-Polypyrrole Stained DNA Stretching by Varying the Ionic Strength from Micromolar to Millimolar Concentrations”, Polymers, 11, 15, 2019.

50. R. Chang and A. Yethiraj, “Can Polymer Chains Cross Each Other and Still Be Entangled?”, Macromolecules, 52, 2000-2006, 2019.

51. M. Nam et al., “Ternary Blend Organic Solar Cells with Improved Morphological Stability”, J. Mater. Chem. A, 7, 9698-9707, 2019.

52. M. Nam et al., “Ternary Organic Blend Approaches for High Photovoltaic Performance in Versatile Applications”, Adv. Energy Mater., 9, 1901856, 2019.

53. J. Lee and R. Chang, “Saccharide Insertion in Carbon Nanotube: Molecular Dynamics Simulation Studies”, Bull. Korean. Chem. Soc., 41, 439-443, 2020.

54. M. Nam et al., “Alternative sequential deposition for optimization-free multi-component organic bulk heterojunctions”, Nano Energy, 74, 104883, 2020.

55. Kong et al., "Interstitially Mixed Self-Assembled Monolayers Enhance Electrical Stability of Molecular Junctions", Nano Lett., 21, 3162-3169, 2021.

56. J. Na and R. Chang, "Morphological Stability of Organic Photovoltaics: Coarse-Grained Molecular Dynamics Simulation Studies", BKCS, 42, 988-993, 2021.

57. J. Lee, S. Yoon, and R, Chang, "Chlorosulfolipid (Danicalipin A) Membrane Structure: Hybrid Molecular Dynamics Simulation Studies", J. Phys. Chem. Lett., 12, 4537-4542, 2021.

58. J. Hyun and R. Chang, "Penetration of C60 into lung surfactant membranes: Molecular dynamics simulation studies", BKCS, 43, 364-368, 2022.

59. Y. Moon et al., "Clioquinol as an inhibitor of JmjC-histone demethylase exhibits common and unique histone methylome and transcriptome between clioquinol and hypoxia", iScience, 25, 104517, 2022.