Protein structure network analysis of a peptide ensemble with Bio3D R package (Advanced)
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- เผยแพร่เมื่อ 11 ก.ย. 2024
- This is a slightly advanced tutorial which will guide you to perform Dynamic Cross-Correlation Network Analysis on a predominantly disordered ensemble of the IDP amyloid-beta 42 using the R statistical computing package Bio3D.
www.r-project.org
thegrantlab.org...
very good and detailed tutorial! Could you please share the R scripts (path_analysis.R and dccm.R)? Thanks!
very useful video. thanks.
@shayonbh_molmod hi can you please let me know how can i perform cross-correlation for a complex a receptor with small molecule ligand. as ligand has only one residue and donot contain CA . thank you.
Hi Shayon, Amazing video, all well explained. Thanks for making this video. Can you please make such a detailed video on PCA?
Ritu
Thanks Ritu! I can't promise when, but I might do it at some point.. do you mean PCA via Bio3D?
@@shayonbh_molmod Yes, I meant PCA using bio3D. Btw which program do you prefer for performing Cartesian or dihedral PCA.
@@rahulmakkad3910 I usually end up writing my own code for variants of PCA if needed, but Bio3D is very good too for Cartesian PCA!
Please Make a tutorial on complete MD Simulation..
There are few great tutorial links on complete MD simulations already. Please have a look at this one with Gromacs: th-cam.com/video/rYZ1p5lXNyc/w-d-xo.html
Plz can you share the scripts thank you
i hope that you kindly share the R code sir, or your gituhub which posted about this code