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Journal of Molecular Graphics and Modelling - ResearchHub

Journal

Journal of Molecular Graphics and Modelling

1093-3263 · Elsevier BV

5 verified public works

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Structure-based drug repurposing for CDK6: Molecular docking and molecular dynamics characterization of FDA-approved non-oncological compounds

2026 · 0 citations

Quantum-compatible AutoDock grid scoring for multi-receptor, multi-ligand, and multi-pose protein-ligand evaluation

2026 · 0 citations

Interpretable machine learning reveals geometry-dominated design rules for atmospheric CO2 capture in metal-organic frameworks

2026 · 0 citations

DFT-based computational screening of the ability of C60-based nanostructures to adsorb the diethylcyclidine drug

2026 · 0 citations

Computational insights into Li+ coordination and redox stability of Sulfolane vs. ethylene carbonate electrolytes: A DFT study with literature benchmarking

2026 · 0 citations

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