Project ID: plumID:20.011
Name: Uremic toxin analysis
Archive: https://github.com/UWPRG/pbut_analysis/raw/master/plumed-nest.zip
Category: bio
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

File Compatible with
plumed.dat tested on v2.8 tested on master

Last tested: 27 Sep 2022, 18:20:27

Project description and instructions
Basic demonstration of CV calculation in the associated paper.

Submission history
[v1] 26 Apr 2020: original submission
[v2] 23 May 2020: updated doi

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plumeDnest:20.011