🔬 Autodock and Vina docking proccess
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Updated
Jul 2, 2025 - Roff
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pyrx
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In-silico drug repurposing study identifying potential glucokinase inhibitors against Naegleria fowleri using molecular docking, ADMET profiling and DFT analysis.
bioinformatics structural-biology computational-biology bioinformatics-pipeline drug-repurposing biotechnology scientific-writing molecular-docking pyrx admet-prediction
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Jun 1, 2026
Computational drug discovery project using molecular docking, virtual screening, and ADME analysis to identify plant-derived DNMT1 inhibitors against colorectal cancer using AlphaFold, AutoDock Vina, PyRx, SwissADME, TCGA, and CPTAC datasets.
bioinformatics computational-biology epigenetics drug-discovery drug-design tcga-data virtual-screening molecular-docking autodock-vina alphafold colorectal-cancer pubchem-database dnmt1 pyrx cancer-bioinformatics swissadme plant-derived-compounds
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Updated
Jul 28, 2026
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