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Journal of Molecular Graphics and Modelling | ResearchHub - ResearchHub

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Journal of Molecular Graphics and Modelling

Elsevier BV · ISSN 1093-3263

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4 linked researchers

J. H. Markna Syarifuddin Husain Suet Lin Chia Pei-Kun Yang

Research in this journal

Quantum-compatible AutoDock grid scoring for multi-receptor, multi-ligand, and multi-pose protein-ligand evaluation2026 · Pei-Kun Yang · 0 citations

Interpretable machine learning reveals geometry-dominated design rules for atmospheric CO2 capture in metal-organic frameworks2026 · Dhrubajyoti Nath, Poran Borboruah, Hridoy Jyoti Mahanta · 0 citations

Computational insights into Li+ coordination and redox stability of Sulfolane vs. ethylene carbonate electrolytes: A DFT study with literature benchmarking2026 · Dharmesh Katariya, J. H. Markna · 0 citations

DFT-based computational screening of the ability of C60-based nanostructures to adsorb the diethylcyclidine drug2026 · Samar O. Aljazzar, Jehan Y. Al-Humaidi, Yousef E. Mukhrish · 0 citations

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

2026 · Syarifuddin Husain, Ruzianisra Mohamed, Khairul Bariyyah Abd Halim · 0 citations