PLUMED-NEST

Project ID: plumID:21.030
Name: Thermodynamic Basis for Stabilization of Helical Peptoids by Chiral Sidechains
Archive: https://zenodo.org/record/7683290/files/plumed-nest.zip
Category: bio
Keywords: parallel bias parallel tempered metadynamics in WTE, synthetic foldamers, self-assembly, peptoid secondary structure
PLUMED version: 2.4
Contributor: Jim Pfaendtner
Submitted on: 09 Jul 2021
Last revised: 27 Feb 2023
Publication: S. Alamdari, K. Torkelson, X. Wang, C.-L. Chen, A. L. Ferguson, J. Pfaendtner, Thermodynamic Basis for the Stabilization of Helical Peptoids by Chiral Sidechains. The Journal of Physical Chemistry B. 127, 6171–6183 (2023)

PLUMED input files

File	Compatible with
plumed-nest/npm/ab.dat
plumed-nest/npm/cn.dat
plumed-nest/npm/cv.dat
plumed-nest/npm/plumed.dat
plumed-nest/nrpe/ab.dat
plumed-nest/nrpe/cn.dat
plumed-nest/nrpe/cv.dat
plumed-nest/nrpe/plumed.dat
plumed-nest/nspe/ab.dat
plumed-nest/nspe/cn.dat
plumed-nest/nspe/cv.dat
plumed-nest/nspe/plumed.dat
plumed-nest/sarc/ab.dat
plumed-nest/sarc/cv.dat
plumed-nest/sarc/plumed.dat

Last tested: 23 Apr 2025, 10:19:05

Project description and instructions
PLUMED files contain everything needed to reproduce metadynamics results presented in paper.

Submission history
[v1] 09 Jul 2021: original submission
[v2] 27 Feb 2023: updated link

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