Dear,

I am trying to publish our structure and modeling done by CHIMERA.

My questions are

1. What is the default option for distance for selecting residues around ligand (e.g., XX A around ligand).
2. Any time scale for simulation?

Here is my method description. Any suggestion, related citation, and help would be appreciated.

“~. Residues within XX A of the ligand was selected for simulation. The model was then subjected to energy minimization using the AMBER ff14SB protein force field in the Chimera package (34).”

Thanks,

In-Kwon

In-Kwon Kim, Ph.D.

Assistant Professor

Department of Chemistry

University of Cincinnati