[Dock-fans] Docking to Molecular Dynamics

Jack Shultz js at drugdiscoveryathome.com
Thu Jun 18 04:35:30 PDT 2009


I am trying to find out what methods are used to prepare docking
complexes for molecular dynamics. Currently I am using autodock4 and
trying to prep the docking complexes for gromacs using amber03 force
fields. My ligand has some incompatibilities. I hear that UCSF has a
good workflow to bring results to molecular dynamics easier.



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