Publications

Pre-SUAT Publication

[17] Tong Wang, Weiwei He (何伟渭), Scout Fronhofer, Serdal Kirmizialtin, Lois Pollack (2026). The distinct structural propensities of poly-C, A, and U single-stranded RNA. Biomacromolecules (Accepted).

[16] Weiwei He (何伟渭), Yu Shen, Serdal Kirmizialtin (2026). Preferential hydration, rather than ion correlation, drives ethanol-induced DNA condensation in monovalent salt. Under review.

[15] Anja Henning-Knechtel, Marko Brnović, Weiwei He (何伟渭), Serdal Kirmizialtin (2026). Protein crowders remodel RNA electrostatics, hydration, and dynamics: a challenge to steric crowding models. Nucleic Acids Res. (Accepted).

[14] Weiwei He (何伟渭), Serdal Kirmizialtin (2026). From scattering curves to structure: interpretable machine learning maps SAXS/WAXS signals to RNA structural details. Front. Biophys..

[13] Sara M. Elgengehi, Durga Prasad Karothu, Weiwei He (何伟渭), Rabindranath Paul, Serdal Kirmizialtin, Panče Naumov (2025). Accurate prediction of mechanical properties of organic crystals using molecular dynamics-based nanoindentation simulations. J. Am. Chem. Soc..

[12] Juncheng Li, Jinxi Du, Weiwei He (何伟渭), Ibrahim O. Adelakun, Miao Zhong, Savia Boyer, Yaying Zheng, Qishan Lin, Serdal Kirmizialtin, Jia Sheng, Tong Wang (2025). Designing reversible photoswitching azobenzene-modified nucleotide for controlling biological function. J. Am. Chem. Soc..

[11] Tong Wang, Weiwei He (何伟渭), Suzette A. Pabit, Lois Pollack, Serdal Kirmizialtin (2024). Sequence-dependent conformational preferences of disordered single-stranded RNA. Cell Rep. Phys. Sci..

[10] Weiwei He (何伟渭), Serdal Kirmizialtin (2024). Mechanism of cationic lipid-induced DNA condensation: lipid-DNA coordination and divalent-cation charge fluctuations. Biomacromolecules.

[9] Weiwei He (何伟渭), Josue San Emeterio, Michael T Woodside, Serdal Kirmizialtin, Lois Pollack (2023). Atomistic structure of the SARS-CoV-2 pseudoknot in solution from SAXS-driven molecular dynamics. Nucleic Acids Res..

[8] Weiwei He (何伟渭), Xiangyun Qiu, Serdal Kirmizialtin (2023). Sequence-dependent orientational coupling and electrostatic attraction in cation-mediated DNA-DNA interactions. J. Chem. Theory Comput. (Cover Article).

[7] Yenlin Chen, Weiwei He (何伟渭), Serdal Kirmizialtin, Lois Pollack (2022). Insights into the structural stability of major-groove RNA triplexes by WAXS-guided molecular dynamics simulations. Cell Rep. Phys. Sci. (Cover Article).

[6] Weiwei He (何伟渭), Nawavi Naleem, Diego Kleiman, Serdal Kirmizialtin (2022). Refining the RNA force field with small-angle X-ray scattering of helix-junction-helix RNA. J. Phys. Chem. Lett..

PDF Code Dataset DOI

[5] Weiwei He (何伟渭), Anja Henning-Knechtel, Serdal Kirmizialtin (2022). Visualizing RNA structures by SAXS-driven molecular dynamics simulations. Front. Bioinform..

[4] Weiwei He (何伟渭), Yenlin Chen, Lois Pollack, Serdal Kirmizialtin (2021). The structural plasticity of nucleic acid duplexes revealed by WAXS and molecular dynamics. Sci. Adv..

[3] Weiwei He (何伟渭), Serdal Kirmizialtin (2020). Exploring cation-mediated DNA interactions using computer simulations. Advances in Bionanomaterials II.

[2] Jinshun Lin, Fuli Wang, Xiaoyang Dong, Weiwei He (何伟渭), Yue Yuan, Su Chen, Xinyuan Liu (2017). Catalytic asymmetric radical aminoperfluoroalkylation and aminodifluoromethylation of alkenes with fluoroalkylsulfonyl chlorides: a versatile platform for enantioenriched β-fluoroalkyl amines. Nat. Commun..

[1] Mingyue Wu, Weiwei He (何伟渭), Xinyuan Liu, Bin Tan (2015). Asymmetric construction of spirooxindoles via organocatalytic multicomponent reactions of diazooxindoles. Angew. Chem. Int. Ed..