SlimMD Database
Cyclosporin A 37μs
Category: Proteins
Downloaded: 388
| Total length of simulation: | 37 microseconds | Simulation software: | AMBER18 |
| Time between snapshots: | 1 picosecond | MD forcefield: | GAFF |
| File formats: | AMBER (.prmtop, .nc), PDB | ||
| Simulation details: | Staring coordinates taken from PDB code 2X7K. Original simulation done in truncated octahedral box of TIP3P water; no ions. | ||
| Trajectory donated by: | Charlie Laughton | ||
| Citations: | Shkurti, A, Styliari, ID, Balasubramanian, V, Bethune, I, Pedebos, C, Jha, S and Laughton CA. (2019) CoCo-MD: A simple and effective method for the enhanced sampling of conformational space. J. Chem. Theor. Comput. 15(4), 2587-2596. | ||
