Molecular Dynamics Trajectories

Molecular dynamics trajectory files supporting the PLOS Computational Biology manuscript ‘Dynamic analysis of human tyrosinase intra-melanosomal domain and mutant variants to further understand oculocutaneous albinism type 1’ by S. Katie Farney, Monika B. Dolinska, Yuri V. Sergeev (2018).

The following files are available:

• T373K_250ns.xtc (15.4 GB)
• tyr-wt_250ns.xtc (13.3 GB)

Homology Models

Homology models of ultra-rare complement factor C8 and two mutant variants supporting the iScience manuscript ‘Ultra-rare complement factor 8 coding variants in families with age-related macular degeneration indicate a critical role of the terminal membrane attack complex (iScience, accepted)’ by Lina Zelinger, Tammy M. Martin, Jayshree Advan, Laura Campello, Milton A. English, Alan Kwong, Claire Weber, Jennifer Maykoski, Yuri V. Sergeev, Robert Fariss, Emily Y. Chew, Michael L. Klein, Anand Swaroop (2023).

The following files are available:

• C8-wt-500ps.pdb C8 homology model refined using 500 ps molecular dynamics
• C8-D382Y-500ps.pdb Homology model of D382Y mutant variant (Subunit B) refined using 500 ps molecular dynamics
• C8-R444H-500ps.pdb Homology model of R444H mutant variant (Subunit A) refined using 500 ps molecular dynamics