title: MD simulation trajectories used in the paper "ABCA1 is an extracellular phospholipid translocase"
author: Jere P. Segrest
description: MD simulation trajectories used in the paper "ABCA1 is an extracellular phospholipid translocase" 1. 10 us coarse-grained MD simulation files of ABCA1 (WT, K568A, 11CmutA), (abca1_cgmd.zip) 1-1. wt.gro 1-2. wt-set1-10us.trr 1-3. wt-set2-10us.trr 1-4. wt-set3-10us.trr 1-5. k568A.gro 1-6. k568A-set1-10us.trr 1-7. k568A-set2-10us.trr 1-8. k568A-set3-10us.trr 1-9. 11CmutA.gro 1-10. 11CmutA_set1_10us.trr 1-11. 11CmutA_set2_10us.trr 1-12. 11CmutA_set3_10us.trr 1-13. readme.txt 2. 30 ns steered molecular dynamic simulation file (slow pulling) (abca1_smd.zip) 2-1. smd.psf 2-2. 30ns.dcd 2-3. readme.txt 3. 0.79 ns steered molecular dynamic simulation file (fast pulling) (abca1_smd2.zip) 3-1. smd2.psf 3-2. 0.79ns.dcd 3-3. readme.txt 4. custom tcl scripts to analyze the salt bridge formation and to analyze the extraction of POPC in the Gateway (tcl_scripts.zip) 4-1. count_popc.vmd 4-2. saltbr-cg.vmd 4-3. readme.txt 