[Chimera-users] Ligand Receptor docking
ps774614 at ohio.edu
Mon Nov 19 11:31:20 PST 2018
I am trying to use UCSF chimera to study ligand-docking interactions. My protein is GLUT1 (4pyp - PDB) and a small molecule called DRB18 .I have used NIH pubchem browser to generate a smiles string for this compound and used the smiles string to generate a 3D structure in chimera.
I have found that the compound interacts with protein in central cavity and interacts via hydrogen bonds (depending on parameters).
I want to know whether my data is publishable. If docking studies performed using chimera are acceptable. People use softwares like Schrodinger/medusa among others. If you wish to see my work, I can send it in as well via email.
Molecular and Cellular Biology program,
Edison Biotechnology Institute,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Chimera-users