ABCB6

AMBER molecular dynamcics input files, post-equilibration starting system used to initiate replicate molecular dynamcics production simulations, and representative structures after triplicate 500 ns of production simulation of ABCB6 embedded in a model RBC membrane.

Systems simulated are:

1. human wild type ABCB6 (htABCB6_WT)
2. human ABCB6 incorporating the L356P mutation (htABCB6_L356P)
3. zebra fish wild type ABCB6 (zfABCB6_WT)
4. zebra fish ABCB6 incorporating the corresponding L356P mutation (zfABCB6_L356P)

This work is published as:

Baril, Wilson, et al, 2024 "From orphan disease to otoliths: The role of ATP-binding Cassette subfamily B member 6 in the inner ear". Nature Communications, manuscript ID NCOMMS-23-11243D

All material is provided under an MIT license please cite the above references when using this work