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Journal of Molecular Graphics & Modelling|November 10, 2009
Template-based structure prediction and molecular dynamics simulation study of two mammalian Aspartyl-tRNA synthetasesZaheer Ul-Haq, Waqasuddin Khan, Shamshad Zarina, et al.Journal of Molecular Graphics & Modelling|October 21, 2005
Tools for building a comprehensive modeling system for virtual screening under real biological conditions: The Computational Titration algorithmGlen E Kellogg, Micaela Fornabaio, Deliang L Chen, et al.Journal of Molecular Graphics & Modelling|November 18, 2005
Adsorption and diffusion of benzene in the nanoporous catalysts FAU, ZSM-5 and MCM-22: a molecular dynamics studyRatana Rungsirisakun, Tanin Nanok, Michael Probst, et al.Journal of Molecular Graphics & Modelling|November 18, 2005
Unveiling hidden features of orphan nuclear receptors: the case of the small heterodimer partner (SHP)Antonio Macchiarulo, Giovanni Rizzo, Gabriele Costantino, et al.Journal of Molecular Graphics & Modelling|October 26, 2005
Homology modeling of the DNA-binding domain of human Smad5: a molecular model for inhibitor designRamkumar Hariharan, M Radhakrishna PillaiJournal of Molecular Graphics & Modelling|October 18, 2022
Targeting human thymidylate synthase: Ensemble-based virtual screening for drug repositioning and the role of waterDenis Mteremko, Jaffu Chilongola, Andrew S Paluch, et al.Journal of Molecular Graphics & Modelling|July 15, 2025
Novel two variable-QSPR analysis for authentication and typification of vegetable oilsPablo R Duchowicz, Mariano G Mandelbaum, Arturo A Vitale, et al.Journal of Molecular Graphics & Modelling|July 12, 2025
In silico-guided exploration of SIRT6 modulation: Discovery of new fragments hits inhibitorsIgnazio Sardo, Giulia Culletta, Ugo Perricone, et al.Journal of Molecular Graphics & Modelling|October 13, 2025
Decomposition of 5-(Dinitromethylene)-4,5-dihydro-1H-1,2,4-triazole at elevated temperatures coupled with high pressures: A molecular dynamics studyDandan Li, Wenpeng Wang, Xinwei CaoJournal of Molecular Graphics & Modelling|November 5, 2025
Theoretical assessment of Au32 nanocluster as tiopronin drug agent: DFT calculation and MD simulation; with solvent effectHadil Faris Alotaibi, Anjan Kumar, Yashwantsinh Jadeja, et al.Pageof 400