Journal Publications:

[1] S. Shin, G. Shi, H. W. Cho, and D. Thirumalai. “Transcription-Induced Active Forces Suppress Chromatin Motion.” Proc. Natl. Acad. Sci. U.S.A. 121, e2307309121 (2024).

[2] S. Shin, G. Shi, and D. Thirumalai. “From Effective Interactions Extracted Using Hi-C Data to Chromosome Structures in Conventional and Inverted Nuclei.” PRX Life 1, 013010 (2023).

[3] K. K. Ray, A. Limaye, K. C. Ng, A. Saha, S. Shin, B. Biswas, M.-P. Gaigeot, S. Pezzotti, A. P. Willard, and H. C. Allen. “Vibrational Second-Harmonic Generation Spectroscopy Provides Insight into the Screening Response of the Liquid Water Interface.” J. Phys. Chem. C 127, 14949–14961 (2023).

[4] M. L. Mugnai, S. Shin, and D. Thirumalai. “Entropic Contribution of ACE2 Glycans to RBD Binding.” Biophys. J. 122, 2506–2517 (2023).

[5] S. Shin and A. P. Willard. “Quantifying the Molecular Polarization Response of Liquid Water Interfaces at Heterogeneously Charged Surfaces.” J. Chem. Theory Comput. 19, 1843–1852 (2023).

[6] M. Pezzella, K. E. Hage, M. J. M. Niesen, S. Shin, A. P. Willard, M. Meuwly, and M. Karplus. “Water Dynamics around Proteins: T- and R-States of Hemoglobin and Melittin.” J. Phys. Chem. B 124, 6540–6554 (2020).

[7] S. Shin and A. P. Willard. “Water’s Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface–Water Interactions.” J. Phys. Chem. B 122, 6781–6789 (2018) (featured in the Journal’s Virtual Issue on Aqueous Interfaces).

[8] S. Shin and A. P. Willard. “Three-Body Hydrogen Bond Defects Contribute Significantly to the Dielectric Properties of the Liquid Water–Vapor Interface.” J. Phys. Chem. Lett. 9, 1649–1654 (2018).

[9] S. Shin and A. P. Willard. “Characterizing Hydration Properties Based on the Orientational Structure of Interfacial Water Molecules.” J. Chem. Theory Comput. 14, 461–465 (2018).

[10] S. I. Lee, G.-S. Hwang, S. C. Shin, T. G. Lee, R. H. Jo, and D. H. Ryu. “A Highly E-Stereoselective Approach to β-Iodo Morita–Baylis–Hillman Esters: Synthesis of Secokotomolide A.” Org. Lett. 9, 5087–5089 (2007).

Papers under Review:

[11] D. Thirumalai, G. Shi, S. Shin, and C. Hyeon. “Organization and Dynamics of Chromosomes.” Annual Review of Physical Chemistry (2025).

Manuscripts in Preparation:

[12] S. Shin, M. L. Mugnai, and D. Thirumalai. “Role of Water in the Effective Repulsion between Glycans.”

[13] S. Shin, K. Wagh, D. A. Stavreva, D. M. Presman, G. L. Hager, A. Upadhyaya, and D. Thirumalai. “Dynamic Switching of Transcriptional Regulators is Activity-Induced Liquid- to-Solid-Like Transition of Euchromatin Loci.”

[14] S. Shin and D. Thirumalai. “On the Chromosome Interaction Differences between Conventional and Inverted Nuclei.”

[15] K. Kumari*, S. Shin*, X. Li, and D. Thirumalai. “Characterizing Structural and Dynamic Variants in Cancer Cell Chromosomes.” (*equally contributed)

[16] D. Jeong, G. Shi, S. Shin, and D. Thirumalai. “WAPL Deletion Induces Enhancement of Specific Contacts in Interphase Chromosomes.”

[17] N. L. Odendahl, S. Shin†, and P. L. Geissler. “A Generalized Mean-Field Model for Surface Water Orientations with Applications to 2-D and 3-D Water Models.” (†corresponding author)