Molecular dynamics simulation of the truncated NMDA receptor in the open state

frame_1628.pdb contains the MD frame with maximal R_min

trajs_xing_7traj_320.pdb.gz contains 5600 frames of 7 MD trajectories of the NMDAR (including the TMD and LBD-TMD linkers)

data_vdw_hb.tar contains data files for intra-N1, intra-N2A and N1-N2A vdw and hb interactions for 5600 MD frames

Rmin from HOLE: Rmin.out1

mutational data from clinvar and hgmd

conservation data from consurf

machine learning code: ML.py