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171 to 180 of 254 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
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 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

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 -

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 -

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 -

GROMACS force field file