Hi,
what is the best method or algorithm or where could I find information for, given a certain molecule, know what bonds are not rigid ? For instance in Ph-CH2-Ph, the CH2 carbon would you consider as rigid or as flexible ?
Thanks
Hi,
what do you think is the best method to determine/calculate in a
computationally efficient way the solvent accessible surface area in
phenomena like protein folding or protein-ligand docking ?
Thanks