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Journal of Molecular Graphics & Modelling|January 25, 2026
ClathPLM: Deep multi-view feature extraction with CNN and attention enhances clathrin protein identificationShuxin Song, Yusen Su, Qingyang Guo, et al.Journal of Molecular Graphics & Modelling|January 16, 2026
Identification of molecular compounds targeting bacterial propionate metabolism with topological machine learningAstrit Tola, Shan Aziz, Dannie Zhabilov, et al.Journal of Molecular Graphics & Modelling|March 25, 2025
Exploring phytochemicals and marine natural products as alternative therapeutic agents targeting phosphotransacetylase (PTA) in Mycobacterium tuberculosis: An underexplored drug targetSneha Subramaniyan, Manikandan Jayaraman, Jeyakanthan JeyaramanJournal of Molecular Graphics & Modelling|March 22, 2025
Molecular property prediction based on graph contrastive learning with partial feature maskingKunjie Dong, Xiaohui Lin, Yanhui ZhangJournal of Molecular Graphics & Modelling|March 19, 2025
Identification of small covalent inhibitors targeting DsbA using virtual screening, covalent docking, and molecular dynamics simulationsYuxiang Ren, Yuqiao Xin, Rongxi Zhu, et al.Journal of Molecular Graphics & Modelling|March 18, 2025
DFT study of pure and Pt-decorated BN nanocone as a nanocarrier for nitrosourea anticancer drugYousef A Bin Jardan, Fadhel F Sead, Dharmesh Sur, et al.Journal of Molecular Graphics & Modelling|May 4, 2013
Theoretical study on optical and electronic properties of bipolar molecules with 1,8-naphthalimide and triphenylamine moieties as organic light-emitting materialsRuifa Jin, Shanshan TangJournal of Molecular Graphics & Modelling|March 19, 2013
Structural basis of femtomolar inhibitors for acetylcholinesterase subtype selectivity: insights from computational simulationsXiao-Lei Zhu, Ning-Xi Yu, Ge-Fei Hao, et al.Journal of Molecular Graphics & Modelling|March 19, 2013
As good as it gets? Folding molecular dynamics simulations of the LytA choline-binding peptide result to an exceptionally accurate model of the peptide structureIlias Patmanidis, Nicholas M GlykosJournal of Molecular Graphics & Modelling|July 9, 2013
Homology modeling study toward identifying structural properties in the HA2 B-loop that would influence the HA1 receptor-binding siteMarni E Cueno, Kenichi Imai, Kazufumi Shimizu, et al.Pageof 408