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951 to 960 of 1,036 Results
simulate_peg_coarse_grained_viscosity_measurements_angular_potential.py
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
Python Source Code - 9.1 KB - MD5: e1a338e769fc3d67d2fad59fac30c405
Python script for Espresso calculation of viscosity
simulation_PEG_H2O_all_atom.sh
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
Shell Script - 532 B - MD5: 97322904134c9f6a62f531a6799e5da3
Bash script to execute NMR measurement in GROMACS
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 - Holm group
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
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