Simulation-Enabled Estimation of Kinetic Rates - Version 2
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Oct 31, 2024 - Python
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namd2
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Comprehensive molecular dynamics simulations and drug design analysis for PTEN protein: workflows include protein dynamics, binding site detection, ligand screening, and filtering for therapeutic discovery.
sitemap bioinformatics clustering structural-biology vmd maestro molecular-dynamics-simulation glide charmm docking drug-design mds trajectory-analysis virtual-screening cadd computer-aided-drug-design namd2 pten chembioserver qikprop
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Nov 25, 2024 - Jupyter Notebook
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