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Questions related from Tomek Stępniewski
Hi everybody, I am currently in a project focused on Virtual Screening, looking for novel GPCR binders. I was wondering whether based on your experience you would recommend and specific software,...
18 February 2020 6,270 2 View
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 1,810 3 View
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 1,153 4 View
Hi, I'm currently working on discovering features in proteins that are involved in binding active compounds. I'm wondering if a ligand has a pKi of 2, can be considered to be an inactive ligand...
08 September 2014 1,864 5 View
Hey, right now I'm trying to indentify reisdues responsible for binding of selective ligands, I have a small database of these compounds, but I'm still trying to mine the CHEMBL database for more,...
19 August 2014 555 7 View
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 4,138 3 View
Scoring function for GPCR homology models. I don't want to use DOPE, as it was optimized for globular proteins.
01 June 2014 940 2 View
