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Journal of Molecular Graphics & Modelling|November 12, 2013
Network visualization of conformational sampling during molecular dynamics simulationLogan S Ahlstrom, Joseph Lee Baker, Kent Ehrlich, et al.Journal of Molecular Graphics & Modelling|November 13, 2013
Homology modeling and docking studies of BjGL, a novel (+) gamma-lactamase from Bradyrhizobium japonicumDawei Song, Shaozhou Zhu, Xingzhou Li, et al.Journal of Molecular Graphics & Modelling|October 22, 2013
Conformational preference of glycinamide in solution: an answer derived from combined experimental and computational studiesBishwajit Ganguly, Manoj K Kesharwani, Nikola Basarić, et al.Journal of Molecular Graphics & Modelling|November 9, 2013
Virtual screening of novel reversible inhibitors for marine alkaline protease MPXiaofeng Ji, Yuan Zheng, Wei Wang, et al.Journal of Molecular Graphics & Modelling|March 25, 2026
Quinolone-inspired MCM2-7 helicase inhibitors: Computational design, dynamic stability, and preclinical promise for targeted anticancer therapySeifeldin Elabed, Wael M Elshemey, Ammar Y Mohamed, et al.Journal of Molecular Graphics & Modelling|March 18, 2026
Computational insights into the allosteric modulation of E. coli type 1 fimbriae by curcumin: FimH, FimG, FimF, FimA, FimD through docking, dynamics, DFT, MMGBSA analysisAkash Jayaraman, Ramesh Venkatachalapathy, Kruthika Prakash, et al.Journal of Molecular Graphics & Modelling|March 21, 2026
Molecular insights into SEN177 binding to human glutaminyl cyclase: a combined MD and DFT studyJingjing Li, Haolin Zhang, Xinyu Zhou, et al.Journal of Molecular Graphics & Modelling|April 4, 2026
Tunable electronic landscape in covalently linked dimer graphene architectures: Heteroatom engineering for selective monitoring and capture of toxic gasesGhadah M Al-Senani, Manal M Alkhamisi, Mahmoud A S Sakr, et al.Journal of Molecular Graphics & Modelling|June 3, 2026
DFT study on interaction of anticancer drugs with Pd2L4 metallo-organic cage carrierMahnoor Ehsan, Muhammad Aetizaz, Maria Maqbool, et al.Journal of Molecular Graphics & Modelling|June 10, 2026
Theoretical end-cap tailoring of tripodal triazatruxene-based hole transport materials toward enhanced perovskite solar cell performanceAhmed Waseem, Sidra Manzoor, Javed IqbalPageof 401