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Journal of Molecular Graphics & Modelling|October 27, 2026
Generative design and computational characterization of pyrazoline-based EGFR kinase inhibitor candidatesKumud Bhendarkar, Pramod Khedekar, Md Ataul Islam, et al.Journal of Molecular Graphics & Modelling|November 1, 2026
Molecular-level screening of triazole-linked C60-TPA derivatives as fullerene-based acceptor candidates for polymer solar cells: A DFT and TD-DFT studyNabil Boukhrissi, Younes Chrafih, Latifa BouissaneJournal of Molecular Graphics & Modelling|June 8, 2001
The molecular structure and electronic spectrum of the C@C60 endohedral complex: an ab initio studyI Yanov, J LeszczynskiJournal of Molecular Graphics & Modelling|June 8, 2001
A theoretical study of transition metal complexes of C60 and C70 and their ring-opened alternativesE D Jemmis, P K SharmaJournal of Molecular Graphics & Modelling|November 5, 2002
RNAStudio, a full-featured object-oriented program for visualizing RNA secondary structuresHao Zhang, Ci-Quan LiuJournal of Molecular Graphics & Modelling|November 5, 2002
The three-dimensional model of Dictyostelium discoideum racE based on the human rhoA-GDP crystal structureMadhavi Agarwal, Donald J Nelson, Denis A LarochelleJournal of Molecular Graphics & Modelling|November 5, 2002
Motion of an antiviral compound in a rhinovirus capsid under rotational symmetry boundary conditionsShigetaka Yoneda, Teruyo Yoneda, Youji Kurihara, et al.Journal of Molecular Graphics & Modelling|November 5, 2002
VEGA: a versatile program to convert, handle and visualize molecular structure on Windows-based PCsAlessandro Pedretti, Luigi Villa, Giulio VistoliJournal of Molecular Graphics & Modelling|October 26, 2002
A large scale molecular dynamics simulation code using the fast multipole algorithm (FMD): performance and applicationJames A Lupo, Zhiqiang Wang, Alan M McKenney, et al.Journal of Molecular Graphics & Modelling|December 5, 2002
Computational studies of the resistance patterns of mutant HIV-1 aspartic proteases towards ABT-538 (ritonavir) and design of new derivativesAnil C Nair, Irena Bonin, Alessandro Tossi, et al.Pageof 408