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181 to 190 of 264 Results
tip4peps.itp
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
application/vnd.shana.informed.formtemplate - 933 B - MD5: 1e996387ad050a7f9b8fbc84ae4abd4e
GROMACS force field file
visco.mdp
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
Unknown - 2.7 KB - MD5: 975e64fcef1119d9b12212796aff8a10
GROMACS input file
viscosity_PEG_H2O_all_atom.sh
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
Shell Script - 542 B - MD5: 9123a6bfc16d35760031f2f79867614f
Bash script to execute viscosity measurement in GROMACS
waterPEGmixture.ipynb
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
Jupyter Notebook - 23.6 KB - MD5: 761f97d6f22ce263c809d2d173133345
Jupyter notebook to create a PEG mixturre
Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks
Oct 24, 2022
Beyer, David; Košovan, Peter; Holm, Christian, 2022, "Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks", https://doi.org/10.18419/DARUS-2277, DaRUS, V2
Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks". In this work we use coarse-grained computer simulations to investigate the swelling behaviour of a tetra-PEG-tetra-PAA hydrogel. In this...
determine_swelling_equilibrium_paper.py
Oct 24, 2022 - Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks
Python Source Code - 22.4 KB - MD5: 095335829d24d4a78c06db96b9e27b05
equilibrium_extensions.txt
Oct 24, 2022 - Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks
Plain Text - 868 B - MD5: fc5fb9bac3ee0a2e57e432e8b4e4c480
esi.pdf
esi.pdf
Oct 24, 2022 - Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks
Adobe PDF - 783.3 KB - MD5: 87cbb4b537f8978f5f0a8e37d72e7a80
excess_chemical_potential.dat
Oct 24, 2022 - Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks
Fixed Field Text Data - 1.8 KB - MD5: 24e54001ee83e75e24f53c0f2fa5a811
excess_chemical_potential_excess_pressure.dat
Oct 24, 2022 - Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks
Fixed Field Text Data - 3.9 KB - MD5: 7637b6d7dfe19f9d899d5e2aaac092b6
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