Re: [ccp4bb] protein-protein docking programs

2008-05-07 Thread Anastassis Perrakis
public anyway.) Try HADDOCK. A. Or I just superimpose the ligands and do some local minimization to get kind of detailed binding model of the receptor. Thanks a lot again, Jerry From: [EMAIL PROTECTED] To: [EMAIL PROTECTED] Subject: Re: [ccp4bb] protein-protein docking

Re: [ccp4bb] protein-protein docking programs

2008-05-06 Thread Jerry McCully
again, Jerry From: [EMAIL PROTECTED] To: [EMAIL PROTECTED] Subject: Re: [ccp4bb] protein-protein docking programs Date: Fri, 2 May 2008 18:11:57 +0200 Try HADDOCK. I think the way to use it will be obvious when you read the doc/papers, but do not hesitate to ask me if I can help more.I think its

[ccp4bb] protein-protein docking programs

2008-05-02 Thread Jerry McCully
Hi, All: Recently we solved a complex structure between two proteins, which indicated the interaction was kind of rigid. Therefore we want to test the binding mode of the receptor with another homologous ligand(very similar structure, RMSD 2.4 angstrom). Can somebody recommend

Re: [ccp4bb] protein-protein docking programs

2008-05-02 Thread Ronan Keegan
Hi Jerry, I've not got a whole lot of experience with docking programs but I have used 3D-dock (http://www.sbg.bio.ic.ac.uk/docking/) to do docking trials between two proteins and found it to be easy to set up and use. It uses an algorithm that mainly looks at surface complimentarity between