Project ID: plumID:21.030
Name: Thermodynamic Basis for Stabilization of Helical Peptoids by Chiral Sidechains
Archive: https://zenodo.org/record/5084617/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
Publication: M. Zhao, K. J. Lachowski, S. Zhang, S. Alamdari, J. Sampath, P. Mu, C. J. Mundy, J. Pfaendtner, J. J. De Yoreo, C.-L. Chen, L. D. Pozzo, A. L. Ferguson, Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets. Biomacromolecules. 23, 992–1008 (2022)

PLUMED input files

File Compatible with
npm/plumed.dat tested on v2.8 tested on master
nspe/plumed.dat tested on v2.8 tested on master
sarc/plumed.dat tested on v2.8 tested on master

Last tested: 20 May 2022, 08:28:51

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

Submission history
[v1] 09 Jul 2021: original submission

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plumeDnest:21.030