MD simulations of EN2 (residues 145-259) with DESamber force field. Five replicas from different starting structures were taken from 5 different timepoints (10 ps, 250 ns, 500 ns, 750 ns, 1000 ns) of
MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 2 (500-1000ns) Dataset contains trajectories (_trj) for the last 500ns of the 1000ns trajectory and topology (-out.cms). For the
ACC1 Fab fragment in complex with citrullinated CII616-639 epitope of collagen type II (ptm23) (313K, 40°C, 100 ns): random seed #1. Contains PDBs every 50 ns. Includes free binding energy calculation
