Rosetta web server is free and takes into account protein flexibility, including backbone. By the way, there are many other useful molecular modeling protocols on this server. Here is the ligand docking job submission page:
That’s the issue. Most good tools are not free. Any free tool where one can put some additional restraint like H-bond between the small ligand and protein?
Rosetta web server is free and takes into account protein flexibility, including backbone. By the way, there are many other useful molecular modeling protocols on this server. Here is the ligand docking job submission page:
Thanks Andrei for a nice suggestion. Rosie seems to be working. One quick question. It is not very clear in the documentation which INTERFACE score value corresponds to which Model number? Is it that the most negative binding energy (interface score) corresponds to Model 1 and so on?