Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
MDFit: Automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics
, Authors:
Alexander Brueckner, Benjamin Shields, Palani Kirubakaran, Alexander Suponya, Manoranjan Panda, Shana Posy, Stephen Johnson, Sirish Kaushik Lakkaraju
Version 1 posted 24 January 2024
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