MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.
Alexander C. BruecknerBenjamin ShieldsPalani KirubakaranAlexander SuponyaManoranjan PandaShana L. PosyStephen R. JohnsonSirish Kaushik LakkarajuPublished in: J. Comput. Aided Mol. Des. (2024)
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