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19,301 to 19,310 of 19,311 Results
box_modified.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 4.3 MB - MD5: 25d4b0dd3d200ef34015872fd90eda43
Cartesian coordinates of the simulation box of the modified pore in .gro format
box_unmodified.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 4.1 MB - MD5: a00ce977879ba4ac47e81656a0d06ebc
Cartesian coordinates of the simulation box of the unmodified pore in .gro format
eductl.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 3.5 KB - MD5: 9354231ac2c4761b2d41aa620aafcbbd
Cartesian coordinates of a single substrate molecule in .gro format
index_modified.ndx
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 2.3 MB - MD5: eeb23825fa2b6232131b12fd57c61f8a
Index file of the simulation box of the modified pore in .ndx format
index_unmodified.ndx
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 2.2 MB - MD5: bbbb0ff29c5d2178a5b75e53d4a93ae7
Index file of the simulation box of the unmodified pore in .ndx format
min.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 985 B - MD5: 48bde63734885a85c1f7cd7b15ce37e6
Simulation parameter file of the energy-minimization step in .mdp format
nvt.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 1.8 KB - MD5: bc54a46eeba897030515cb52d6fcb973
Simulation parameter file of the equilibration step in .mdp format
productmmc.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 3.3 KB - MD5: 18a33a934ad3e5dfecf098bf5c8f2dbf
Cartesian coordinates of a single product molecule in .gro format
run.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 1.8 KB - MD5: 74ddd4b640613458c341b30275af14a1
Simulation parameter file of the production step in .mdp format
topol_modified.top
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 523 B - MD5: 21e8544cdb699e2b48effdff971a819c
Main topology file of the simulation box of the modified pore in .top format
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