Theoretical and Computational Biophysics

Binding mechanism and distant regulation of histone deacetylase 8 by PCI-34051

Communications Biology, 8(1), 221, 2025.

Yuxiang Luo, Zhaoyue Yan, Xiakun Chu, Ying Zhang, Yufan Qiu, and Huilin Li*.

Dynamics of the mammalian pyruvate dehydrogenase complex revealed by in-situ structural analysis

Nature Communications, 16(1), 917, 2025.

Chen Wang, Cheng Ma, Yuanyou Xu, Shenghai Chang, Hangjun Wu, Chunlan Yan, Jinghua Chen, Yongping Wu, Shaoya An, Jiaqi Xu, Qin Han, Yujie Jiang, Zhinong Jiang, Xiakun Chu, Haichun Gao*, Xing Zhang*, and Yunjie Chang*.

Dissecting the Roles of Electrostatic Interactions in Modulating the Folding Stability and Cooperativity of Engrailed Homeodomain

Biochemistry, 63(24), 3261-3272, 2024.

Chengzhen Xu and Xiakun Chu*.

Fluctuating Chromatin Facilitates Enhancer–Promoter Communication by Regulating Transcriptional Clustering Dynamics

The Journal of Physical Chemistry Letters, 15(45), 11428-11436, 2024.

Tao Zhu, Chunhe Li, and Xiakun Chu*.

Unraveling the Interplay between Stability and Flexibility in the Design of Polyethylene Terephthalate (PET) Hydrolases

Journal of Chemical Information and Modeling, 64(19), 7576-7589, 2024.

Shiqinrui Xu, Chengze Huo, and Xiakun Chu*.

Balancing thermodynamic stability, dynamics, and kinetics in phase separation of intrinsically disordered proteins

The Journal of Chemical Physics, 161(9), 2024.

Guoqing Zhang and Xiakun Chu*.

Redesigned Guide DNA Enhanced Clostridium butyricum Argonaute Activity for Amplification-Free and Multiplexed Detection of Pathogens

Nano Letters, 24(31), 9750-9759, 2024.

Yongqiang He, Shuai Wang, Junping Wen, Niu Feng, Ruxiang Ma, Hetong Zhang, Guoxun Chen, Xiakun Chu, Yiping Chen*.

Deciphering the dynamical chromosome structural reorganizations in human neural development

Physical Review Research, 6(2), 023309, 2024.

Xiakun Chu, Cibo Feng, and Jin Wang*.