I just read about your program, and I am excited to try it out. I was wondering if it works for residue mutations in proteins (with no ligand), i.e. to find the difference in free energy of a solvated protein system when for example a glycine residue has been mutated to a serine?
Dear Developers of FES-setup,
I just read about your program, and I am excited to try it out. I was wondering if it works for residue mutations in proteins (with no ligand), i.e. to find the difference in free energy of a solvated protein system when for example a glycine residue has been mutated to a serine?
Thanks in advance, Holly Freedman