Project ID: plumID:22.026
Name: Designing Sequence-Defined Peptoids for Fibrillar Self-Assembly and Silicification
Archive: https://github.com/UWPRG/PRGNESTS/raw/main/Silica_peptoid_PB/Silica_peptoid_PB.zip
Category: materials
Keywords: Peptoid, silica
PLUMED version: 2.5
Contributor: Jim Pfaendtner
Submitted on: 03 Jun 2022
Publication: W. Yang, Y. Zhou, B. Jin, X. Qi, B. Cai, Q. Yin, J. Pfaendtner, J. J. De Yoreo, C.-L. Chen, Designing sequence-defined peptoids for fibrillar self-assembly and silicification. Journal of Colloid and Interface Science. 634, 450–459 (2023)
PLUMED input files
| File | Compatible with |
|---|---|
| Silica_peptoid_PB/mix/plumed.dat |   |
| Silica_peptoid_PB/nae/plumed.dat | |
| Silica_peptoid_PB/nce/plumed.dat | |
| Silica_peptoid_PB/ncp/plumed.dat | |
Last tested: 22 Apr 2024, 20:46:34
Project description and instructions
Peptoid binding free energy to silica surfaces were calculated with GROMACS using the codes in the URL. All files needed to reproduce the results are included, such as configuration, .mdp, .itp, and plumed.dat.
Submission history
[v1] 03 Jun 2022: original submission
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