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 v2.6 tested on master

Last tested: 14 Jul 2020, 09:14:00

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