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TCB-Kla: a hybrid deep learning model for predicting human lysine lactylation sites by incorporating transformer encoder and multi-scale CN
Author: Zhang, Shengli; Sheng, Bin
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2026; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2026.2645110
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Binding investigation of Ribociclib to human α-1-acid glycoprotein with spectroscopic and computational simulation approache
Author: Han, Liang; Jin, Yan-Fei; Li, Li; Jiang, Shao-Liang
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2026; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2026.2631673
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Mechanistic insights into Gwt1-substrate interactions and antifungal drug discovery via molecular dynamics and virtual screenin
Author: Wang, Yiran
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2026; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2026.2613684
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Binding of low rank coal polycyclic aromatic hydrocarbons with ABTS mediated bacterial laccase: insight from molecular simulation
Author: Wang, Fanglue; Zhang, Liwen; Song, Zhihuan; Zhang, Dongchen; Xu, Jingyao; Wu, Xuefeng; Luo, Hu; Luo, Yuqing
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2026; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2026.2619871
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Molecular dynamics investigation of single nucleotide polymorphism-driven variations in GSTP1 phosphorylation and substrate interactio
Author: Shahwar, Durr-e-; Usama; Khan, Zahid; Ahmad, Naveed; Ali, Aktar; Imran, Muhammad
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2026; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2026.2619869
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Identification of potential inhibitors targeting Ebola virus VP35 protein: a computational strateg
Author: Chen, Yan-kun; Gahtani, Reem M.; Al Shahrani, Mesfer; Hani, Umme; Alshabrmi, Fahad M.; Alam, Sarfaraz; Almohaimeed, Hailah M.; Basabrain, Ammar A.; Shahab, Muhammad; Xie, Meng-zhou
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2025; Vol. 43, Issue 6, pp. 2877-2889. DOI: 10.1080/07391102.2023.2294384
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Exploring the allosteric effect of SHP2 Tyr62 phosphorylation on the emergence of acquired resistance to allosteric inhibitor SHP09
Author: Du, Tingting; Gu, Lei; Xu, Shenqian; Zhang, Jingfeng; Qiu, Xiaoou; Liu, Wuxia; Zheng, Guodong; Li, Bei; Zhou, Bin; Li, Minyu
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2025; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2025.2507815
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Investigating the mechanism of corilagin interfering with HSV-2 replication: an in vitro and in silico analysis of the cGAS-STING pathwa
Author: Zhang, Hao; Cheng, Liang; Zhou, Xueshi; Chen, Renfang; Ju, Feng; Dong, Qigang
Journal: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2025; Vol. , Issue , pp. -. DOI: 10.1080/07391102.2025.2508347
