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PCTPS: Accurate prediction of phase-separated proteins using protein language model embeddings and a CTN-KAN framewor
Author: Liu, Taigang; Xia, Yuxin; Sun, Xuqi; Song, Shuxin; Hu, Xiang; Zhang, Lingrong
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 146, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109383
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Tunable electronic landscape in covalently linked dimer graphene architectures: Heteroatom engineering for selective monitoring and capture of toxic gase
Author: Al-Senani, Ghadah M.; Alkhamisi, Manal M.; Sakr, Mahmoud A.S.; Abdelrazek, Ghada M.; Al-Qahtani, Salhah D.; Abd-Elkader, Omar H.; Abdelsalam, Hazem
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 146, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109391
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Electronic structure and spin delocalization in Blatter radical derivatives: A computational stud
Author: Gao, Ying; Wu, Yong; Ren, Bo; Yang, Xiao-Dong
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 146, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109373
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CFlowAMP: Property controllable De Novo AMP design via integrating ESM-2 with conditional flow matchin
Author: Chen, Jia; Jiang, Yongquan; Gong, Kuanping; Yang, Yan
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 146, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109401
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DrugAgent: A multi-agent digital biosensor framework for interpretable virtual drug screenin
Author: Yang, Qian; Ma, Xiao-ting; Wang, Teng-fei; Dou, Xin; Zhao, Man; Yang, Xiao-wen
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 146, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109396
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First-principles investigation of Nb2C, Nb2CO2, Mo2C, and Mo2CO2 MXene nanoclusters as high-capacity sodium-ion battery anode
Author: Al-Senani, Ghadah M.; Teleb, Nahed H.; Al-Qahtani, Salhah D.; Sakr, Mahmoud A. S.; Abd-Elkader, Omar H.; Abdelsalam, Hazem; Zhang, Qinfang
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 145, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109337
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Molecular insights into SEN177 binding to human glutaminyl cyclase: a combined MD and DFT stud
Author: Li, Jingjing; Zhang, Haolin; Zhou, Xinyu; Wang, Yeming; Wei, Chaochun; Yan, Hong; Wang, Juan
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 145, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109372
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Integrative computational pipeline for the in silico prioritization of potential KIF11-targeting drug candidates in glioblastom
Author: Nisar, Haseeb; Sahibzada, Kashif Iqbal; Khan, Abbas; Alwahaishi, Saleh; Agouni, Abdelali
Journal: JOURNAL OF MOLECULAR GRAPHICS & MODELLING. 2026; Vol. 145, Issue , pp. -. DOI: 10.1016/j.jmgm.2026.109357
