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MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.

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Bibliographic Details
Title: MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.
Authors: Brueckner, Alexander C.1, bruecknera15@gmail.com, Shields, Benjamin1, Kirubakaran, Palani2, Suponya, Alexander1, Panda, Manoranjan1, Posy, Shana L.1, Johnson, Stephen1, Lakkaraju, Sirish Kaushik1, kaushik.lakkaraju@bms.com
Source: Journal of Computer-Aided Molecular Design; 7/17/2024, Vol. 38 Issue 1, p1-13, 13p
Database: Applied Science & Technology Source
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Description
ISSN:0920654X
DOI:10.1007/s10822-024-00564-2