Progress:Kevin
From Computational Biophysics and Materials Science Group
This page is used for checklists discussed during the weekly meetings.
Checked
To be discussed
In progress
Contents
[hide]20160831
- JPCB manuscript
- US results
- PH rotational angles
- Introduction
- MDFF manuscript figures
- move PTMC to supp
- tetramer simulations
- RMSF profiles
20160817
- PIP2/PS Umbrella sampling submit
- 1-PIP2, 2-PC
- 1-PC, 2-PIP2
- 1-PS, 2-PC
- Peptide setup
- All-atom
- martini
- Actin analysis
20160727
- US of BN-lipids
- help Yonghui setting up US in Gromacs, 2 set-ups (BN and membrane), DMPC, 3 temperatures
- Ups figure
- COM between protein and lipids
- tilting angles
- distance between residues (<10) and DOPA (resid 257)
- vector of binding pocket with membrane
- Next BAR-PH paper
- Theme: lipid specificity
- contacting residues in BAR-PH--membrane MD
- Setup US of PIP2/PS with PH domain
- Martini
- many constrained BAR-PH on membrane
- Actin
- new MD data
- Others
- Send cluster configurations to CSC
- Move mini
- Quotation for new storage disks
20160720
- Ups figure
- read manuscript
- examine contacting residues
- discuss
- Next BAR-PH paper
- examine contacting residues
- discuss
20160713
- Summarize BAR-PH simulations
- Sun: compare stability of tetramers
- Sun: to be discussed for the manuscript
- Prepare Ups figures
20160706
- Revision on supplementary text and legends
- colour definitions added to legends
- comparison between before and after MDFF added
- comparison between MDFF and rigid-body docking added
- Figure indexes
- revised
- Figure “rotational PH” revised
- split into main and supp
- re-plot distribution and delete class 2
- re-draw schematic
- add bin size
- Figure "assembly process" revised
- revised and polished
- move legends
- Figure “structural angle”
- re-plot to distribution
- PTMC
- PTMC of BAR-PH added to Fig1
- PTMC of other BAR added to Supp
- tables modified
- add two supp figures
- add supp text on other BARs
- Check residues
- Text name of interfaces: same-row, different-row, front, back interactions