Tomek Stępniewski

3 Questions 5 Answers 0 Followers

Questions related from Tomek Stępniewski

Is it ok to simulate protein ligand interractions using Coarse Grained forcefields?

Hi, I would like to study how a large protein complex interracts with a ligand. Due to the sheer size im afraid im limited to Coarse Grained. Im guite confident about the protein, however the...

29 January 2019 1,754 3 View

Why define the "steps per cycle" value, when you could just use the timesteps in NAMD?

Hi, I have very general and basic questions considering NAMD. In the input you define timesteps, but you also define steps per cycle. If I understand correctly, atoms will be moved to another...

04 October 2014 1,104 4 View

How is it possible that a chloride anion forms hydrophobic bonds with valine and two Serine residues?

Ok I'm a bit ashamed to even ask this, but I can't seem to get my head around this binding schemehttp://www.ncbi.nlm.nih.gov/pmc/articles/PMC3058422/figure/F3/How is it possible that a chloride...

18 July 2014 4,093 3 View