[Chimera-users] Ligand Receptor docking

Shriwas, Pratik 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.

Thank you.


Pratik Shriwas

Phd Candidate,

Molecular and Cellular Biology program,

Edison Biotechnology Institute,

Ohio University.

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