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Journal of Molecular Graphics & Modelling|February 20, 2026
Theoretical insights into the application of petal Graphyne monolayer as a promising sensor for propylene oxideQamar Abuhassan, Kamel A Saleh, O S Waleed, et al.Journal of Molecular Graphics & Modelling|March 17, 2026
Modeling the structural, magnetic, electronic, optical and mechanical performance in Ca3XH8 (X= Cr, Mn and Fe) hydrides for hydrogen storage applicationBilal Ahmed, Muhammad Bilal Tahir, Amna Parveen, et al.Journal of Molecular Graphics & Modelling|March 16, 2026
Mutation-driven adaptation of ACE2-RBD binding revealed by integrative molecular dynamics analysisLinh Truong Hoai, Baso Ilham, Thanakorn Sompornpisut, et al.Journal of Molecular Graphics & Modelling|March 4, 2026
FTIR and DFT studies on the hydrogen bond interactions in liquid formamide and its solutions with QuinolineK Ramya, R Shanmugam, P Mounica, et al.Journal of Molecular Graphics & Modelling|March 26, 2013
Theoretical study on the degradation of ADP-ribose polymer catalyzed by poly(ADP-ribose) glycohydrolaseQianqian Hou, Xin Hu, Xiang Sheng, et al.Journal of Molecular Graphics & Modelling|June 8, 2001
Why the all-electron full-potential approach is suitable for calculations on fullerenes and nanotubes?Y Kawazoe, K Ohno, K Esfarjani, et al.Journal of Molecular Graphics & Modelling|August 28, 2004
Modelling of third cytoplasmic loop of bovine rhodopsin by multicanonical molecular dynamicsYukihisa S Watanabe, Yoshifumi Fukunishi, Haruki NakamuraJournal of Molecular Graphics & Modelling|December 17, 2016
On the mechanism of substrate/non-substrate recognition by P-glycoproteinAzat Mukhametov, Oleg A RaevskyJournal of Molecular Graphics & Modelling|December 30, 2016
Unbinding pathway energy of glyphosate from the EPSPs enzyme binding site characterized by Steered Molecular Dynamics and Potential of Mean ForceMoacir F Ferreira, Eduardo F Franca, Fábio L LeiteJournal of Molecular Graphics & Modelling|November 5, 2016
GPView: A program for wave function analysis and visualizationTian Shi, Ping WangPageof 407