ADL: question about covalent docking with autodock4.2
h_sirous at pharm.mui.ac.ir
Fri Jan 24 00:54:40 PST 2014
hello,i am phd student of medicinal chemistry.
I am using autodock to study metalloprotein-ligand interactions. my
ligands are known to form covalent bonds with metal cofactors within the
receptor. i know that autodock4.2 is able to creat covalent maps for docking of
covalent complexes between ligands and metal cofactors of active site. I read
the manual or the tutorial for this problem but this section is not well
explained.I will appreciate any help about implementation of mentioned protocol.
Hajar Sirous najafabadi,PhD student of medicinal chemistry
Department of Medicinal Chemistry,
Faculty of Pharmacy and Pharmaceutical Sciences (http;//pharm.mui.ac.ir/)
Isfahan University of Medical Sciences (http://www.mui.ac.ir),
Hezar Jerib Ave.
More information about the autodock