Project ID: plumID:20.011
Name: Uremic toxin analysis
Keywords: metadynamics, uremic toxin, serum albumin
PLUMED version: 2.4
Contributor: Jim Pfaendtner
Submitted on: 26 Apr 2020
Last revised: 23 May 2020
Publication: J. Smith, J. Pfaendtner, Elucidating the Molecular Interactions between Uremic Toxins and the Sudlow II Binding Site of Human Serum Albumin. The Journal of Physical Chemistry B. 124, 3922–3930 (2020)
PLUMED input files
Last tested: 27 Sep 2022, 18:20:27
Project description and instructions
Basic demonstration of CV calculation in the associated paper.
[v1] 26 Apr 2020: original submission
[v2] 23 May 2020: updated doi
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