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Journal of Molecular Graphics & Modelling|September 18, 2024
Molecular insights into the performance of promoters for carbon dioxide hydrateJinxiang Liu, Yongqi Yuan, Sikai Wang, et al.Journal of Molecular Graphics & Modelling|September 17, 2024
Density functional theory and molecular dynamics simulation of water molecules confined between two-dimensional graphene oxide surfacesMohsen Abbaspour, Ali MorsaliJournal of Molecular Graphics & Modelling|June 1, 2023
Identification of dietary compounds that interact with the circadian clock machinery: Molecular docking and structural similarity analysisEleni Pitsillou, Julia J Liang, Raymond C Beh, et al.Journal of Molecular Graphics & Modelling|June 4, 2023
Highlighting the hygroscopic capacities of apiogalacturonansLaurie Verzeaux, Rajas Rao, Raoul Vyumvuhore, et al.Journal of Molecular Graphics & Modelling|March 4, 2026
Computational identification of marine-derived inhibitors of Cyclophilin D and Protease-Activated Receptor-1 for the treatment of ischemic diseaseVeeresh Sadashivanavar, Manjunath Madalageri, Raghavendra Kinnal, et al.Journal of Molecular Graphics & Modelling|February 28, 2026
Structured Entropy Analysis (SEA): A computational framework for latent biomolecular insights beyond conventional descriptors in molecular dynamics simulationsEzekiel Edward Nettey-Oppong, Emmanuel Essel Mensah, Per Peter Badasu, et al.Journal of Molecular Graphics & Modelling|March 9, 2026
Can cation-π and cation-lone pair interaction stabilize alkali/alkaline earth metal ion-furan adducts? Acumen from DFTBapan Saha, Igor K Petrushenko, Pampi Rabha, et al.Journal of Molecular Graphics & Modelling|February 19, 2026
Integrative structure-based approach for phytocompound-based dual therapeutics targeting Alzheimer's and Parkinson's diseaseMd Mehedi Hasan Pulok, Fahmida Akter, Md Tahsinul Islam, et al.Journal of Molecular Graphics & Modelling|November 14, 2024
Boron nitride nanoslits for water desalination via forward osmosis: A molecular dynamics studyAmin Hamed Mashhadzadeh, Maryam Zarghami Dehaghani, Narges Vafa, et al.Journal of Molecular Graphics & Modelling|November 30, 2024
A novel in silico approach for identifying multi-target JAK/STAT inhibitors as anticancer agentsAlessia Bono, Gabriele La Monica, Federica Alamia, et al.Pageof 408