Atomistic Fingerprint Of Hyaluronan-Cd44 Binding: Unbound Simulations, Set 2
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Simulation files (Gromacs 4.6.7 format) for the "Unbound" simulations in Ref. [1]. There are two replicas marked with "_4" and "_5". Files include: -trajectories (.xtc) that are saved every 100ps <br> -initial structures (.gro), <br> -run input files (.tpr)<br> -checkpoint files (.cpt)<br> -simulation parameter files (.mdp)<br> -system topology file (.top)<br> -topology files included in the system topology file (.itp) [1] Vuorio J. et al., Atomistic Fingerprint of Hyaluronan-CD44 Binding, PLOS Comp. Biol., 2017. (Submitted)
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Zenodo创建时间：
2017-07-11
