Molecular dynamics trajectories of HOMER1 EVH1 domain variants (wild type, M65I, S97L)

The data set contains PDB format files corresponding to three independent trajectories of three HOMER1 EVH1 variants, the wild type, M65I and S97L mutants.
The calculations are described in the following paper:

Fanni Farkas, Brigitta Maruzs, Zsófia E. Kálmán, Tomas Klumpler, Gyula Batta, Bálint Péterfia, Zoltán Gáspári:
Modulation of Homer1 EVH1 domain internal dynamics by putative autism-associated mutations
FEBS Lett, accepted for publication

The corresponding preprint is available at:
https://doi.org/10.64898/2025.12.17.694870

The files are PDB format structures corresponding to the molecular dynamics trajectories analyzed in the paper above.
Note that the structures contain a 3-residue expression tag at their N-terminus, thus, residue numbering is shifted accordingly with respect to the corresponding UniProt entry Q9Z2Y3 (mouse Homer1 protein). The structures contain residues 1-118 of the protein, corresponding to the EVH1 domain (residue numbers 4-121 in the files).

The molecular dynamics protocol is described in the paper above. 
Software: GROMACS 2023.2
Force field: AMBER99SB-ILDN
Production run length: 1,000 ns
Number of frames extracted: 501
Runs were performed on the Komondor supercomputer (access provided by the Digital Government Development and Project Management Ltd., Hungary)

Three independent production run trajectories are deposited for each of the wild type, the M65I and the S97L variants (because of the numbering, the mutated residues in the files are ILE68 and LEU100).