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"MDFit: automated molecular simulations workflow enables high throughput ..."

Alexander C. Brueckner et al. (2024)

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DOI: 10.1007/S10822-024-00564-2

access: closed

type: Journal Article

metadata version: 2024-07-23

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Alexander C. Brueckner, Benjamin Shields, Palani Kirubakaran, Alexander Suponya, Manoranjan Panda, Shana L. Posy, Stephen R. Johnson, Sirish Kaushik Lakkaraju:
MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics. J. Comput. Aided Mol. Des. 38(1): 24 (2024)

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