SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"
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321 to 330 of 1,102 Results
topol.top
Nov 25, 2025 - Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations
Unknown - 2.5 KB - MD5: cc54e726f2ecb111d7e66bf1525dc052
topol.top
Nov 25, 2025 - Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations
Unknown - 2.5 KB - MD5: 49a86a20913a9a9b94018c17b22914fa
topol.top
Nov 25, 2025 - Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations
Unknown - 2.2 KB - MD5: 3e3a75b614f07da45d8f0fcac832109b
topol.top
Nov 25, 2025 - Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations
Unknown - 2.2 KB - MD5: 2bea99dd255d2f21267b525efcd8bc0e
topol.top
Nov 25, 2025 - Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations
Unknown - 2.2 KB - MD5: ee13d279581149af78e2f02322bfe0e4
topol.top
Nov 25, 2025 - Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations
Unknown - 2.5 KB - MD5: 19003ec06798e0246b011672fb81fac3
charmm36-jul2017.tar.gz
Sep 9, 2025 - Supplementary Data to: "Cysteine-mediated structural stabilization of the tetrameric GlpF"
Gzip Archive - 602.5 KB - MD5: 16e479102c1163f7568dbe5333c35863
M4C_tetra.tar.gz
Sep 9, 2025 - Supplementary Data to: "Cysteine-mediated structural stabilization of the tetrameric GlpF"
Gzip Archive - 3.4 GB - MD5: 20bb7ba8f2e6715f40dc5a012f44cf93
simulation files and results of the mutated tetrameric GlpF protein
wt_tetra.tar.gz
Sep 9, 2025 - Supplementary Data to: "Cysteine-mediated structural stabilization of the tetrameric GlpF"
Gzip Archive - 3.4 GB - MD5: 6b2ec643c05b804388672956c6496c46
simulation files and results of the wild-type tetrameric GlpF
simulations.tar.gz
Apr 16, 2025 - Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning
Gzip Archive - 3.5 GB - MD5: 29446eb0163201b09183cd448e4fc350
Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top (topology) files. GROMACS 2021 or 2023 was used for the simulations (see paper for details). Additionally, ART-SM and Backward mapping files from coarse-grained to atomistic resolution are included.
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