Alex Rayevsky

3 Questions 17 Answers 0 Followers

Questions related from Alex Rayevsky

Gromacs distance calculation between multiple atoms, is it real?

Dear all, I have to analyze the trajectory and calculate all distances between a group of atoms (each separate particle) and all the surrounding waters, which were at the distance cutoff

06 December 2023 4,641 0 View

C-terminal reconstruction, CROMACS refinement?

Hi all! Well, I have a protein (TubulinG) X-ray, however it lacks last 10-11 residues, which are probably exposured to the solvent (and it seems are flexible enough to be invisible for X-ray). The...

26 January 2018 4,197 1 View

Disordered region modelling Loop sampling

Dear all! How do You think, is it possible to run an MD simulation of the protein with a fully rotatable bond (changing amide rigidity) in the middle of the reconstructed disordered region? I...

01 January 1970 8,965 3 View