Atomistic Fingerprint Of Hyaluronan-Cd44 Binding: Clustering Simulations

Simulation files (Gromacs 4.6.7 format) for the "Clustering" simulations in Ref. [1]. There are two replicas marked with "_1" and "_2". Files include: -trajectories (.xtc) that are saved every 100ps -initial structures (.gro), -run input files (.tpr) -checkpoint files (.cpt) -simulation parameter files (.mdp) -system topology file (.top) -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)

Related Organizations

Tampere University
Finland
Czech Academy of Sciences
Czech Republic
University of Helsinki
Finland

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