1 to 10 of 585 Results
MPEG-4 Video - 800.1 MB -
MD5: 73b1f70e11a7caa8a7fd0e9181901018
Visualization 6nm pore of a 1mus long simulation - 1s in the video corresponds to 12 ns simulation time. |
MPEG-4 Video - 709.5 MB -
MD5: 0fea36145183f5ec0cb3197d5ad065af
Visualization 5nm pore of a 1mus long simulation - 1s in the video corresponds to 12 ns simulation time. |
MPEG-4 Video - 453.3 MB -
MD5: a488685862b05d0b60cfff96c4fdc8fc
Visualization 2.5nm pore with 2 catalyst molecules of an 850ns long simulation - 1s in the video corresponds to 12 ns simulation time. |
MPEG-4 Video - 338.4 MB -
MD5: 685ebfbf0ac702a2a5ee38c5cc03b3da
Visualization 2.5nm pore with 1 catalyst molecule of an 850ns long simulation - 1s in the video corresponds to 12 ns simulation time. |
Nov 25, 2021 -
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
Gzip Archive - 3.4 MB -
MD5: c700659d5c6c890fdac4b1d9dff636ce
Contains simulation data (in-/output, scripts) from Umbrella Sampling |
MPEG-4 Video - 1.0 GB -
MD5: 604a66237b46765bbbd1a8e73d4714ec
MD Simulation trajectory of 1 mus simulated at 350 K of a Pore with 11 beta-CD molecules attached to the surface using the Trofymchuk linker with 30 benzene molecules in water. Hereby one video second corresponds to 7.5 ns. |
MPEG-4 Video - 992.4 MB -
MD5: 0211c40a51430b7922047d5d9c7efec1
MD Simulation trajectory of 1 mus simulated at 298 K of a Pore with 11 beta-CD molecules attached to the surface using the Trofymchuk linker with 30 benzene molecules in water. Hereby one video second corresponds to 7.5 ns. |
MPEG-4 Video - 815.2 MB -
MD5: 4b80bb531859c04f19f7be0960ae7ca5
MD Simulation trajectory of 1 mus simulated at 298 K of a Pore with 5 beta-CD molecules attached to the surface using the Trofymchuk linker with 30 benzene molecules in water. Hereby one video second corresponds to 7.5 ns. |
Unknown - 465 B -
MD5: 69c9a9ee3af0e5d460462349cdc5da15
Main topology file of the simulation box of the unmodified pore in .top format |
Unknown - 523 B -
MD5: 21e8544cdb699e2b48effdff971a819c
Main topology file of the simulation box of the modified pore in .top format |