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Journal of Molecular Graphics & Modelling|March 7, 2024
Theoretical prediction on the insertion reactions of stannylenoid H2SnLiF with CH3X and SiH3X (X = F, Cl, Br)Shuo Wu, Bingfei Yan, Shaoli Liu, et al.Journal of Molecular Graphics & Modelling|July 26, 2023
Structural dynamics of moonlighting intrinsically disordered proteins - A black box in multiple sclerosisL Ramya, S Helina HildaJournal of Molecular Graphics & Modelling|August 6, 2023
Exploration of charge transfer analysis and photovoltaics properties of A-D-A type non-fullerene phenazine based molecules to enhance the organic solar cell propertiesSabiha Khanam, Sahar Javaid Akram, Rasheed Ahmad Khera, et al.Journal of Molecular Graphics & Modelling|August 7, 2023
Structural evolution of in-plane hybrid graphene/hexagonal boron nitride heterostructure upon heatingHang T T NguyenJournal of Molecular Graphics & Modelling|August 8, 2023
A DFT study on the adsorption and dissociation of N-Nitrosodimethylamine on a Ni8 nanoclusterNahuel Moreno Yalet, Pablo L Dammig Quiña, Víctor A RaneaJournal of Molecular Graphics & Modelling|July 24, 2023
In silico evaluation of new mangiferin-based Positron Emission Tomography radiopharmaceuticals through the inhibition of metalloproteinase-9Andy Gálvez-Rodríguez, Anthuan Ferino-Pérez, Zalua Rodríguez-Riera, et al.Journal of Molecular Graphics & Modelling|March 21, 2026
Electrocatalytic potentials of biochars derived from Dioscorea bulbifera peel for hydrogen evolution reactions- experimental and tight binding quantum chemical studyEdith C Unoka, J U Iyasele, I E Uwidia, et al.Journal of Molecular Graphics & Modelling|March 18, 2026
Integrative computational pipeline for the in silico prioritization of potential KIF11-targeting drug candidates in glioblastomaHaseeb Nisar, Kashif Iqbal Sahibzada, Abbas Khan, et al.Journal of Molecular Graphics & Modelling|March 24, 2026
Inhibitory potential of Morus alba leaf extract and its phytoconstituent against SARS-CoV-2 main protease: An integrative in silico and in vitro analysisAyesha Malik, Sobia Noreen, Bushra IjazJournal of Molecular Graphics & Modelling|April 6, 2026
CFlowAMP: Property controllable De Novo AMP design via integrating ESM-2 with conditional flow matchingJia Chen, Yongquan Jiang, Kuanping Gong, et al.Pageof 408