Re: [ccp4bb] Modelling protein/protein interfaces

2018-02-03 Thread Thomas Krey
AC.UK" Subject: [ccp4bb] Modelling protein/protein interfaces Hello If you are dealing with oligomers conserved in evolution, InterEvDock can be a good choice since it implements a coevolution-based score (http://mobyle.rpbs.univ-paris-diderot.fr/cgi-bin/portal.py#forms::InterEvDock2).

[ccp4bb] Modelling protein/protein interfaces

2018-02-02 Thread CHARBONNIER Jean-Baptiste
Hello If you are dealing with oligomers conserved in evolution, InterEvDock can be a good choice since it implements a coevolution-based score (http://mobyle.rpbs.univ-paris-diderot.fr/cgi-bin/portal.py#forms::InterEvDock2). Their new version handle oligomers with sequence alignments automaticall

Re: [ccp4bb] Modelling protein/protein interfaces

2018-01-26 Thread Maria Jose Sanchez Barrena
I have also heard about Frodock. The primary reference: J. I. Garzon, J. R. Lopéz-Blanco, C. Pons, J. Kovacs, R. Abagyan, J. Fernandez-Recio, P. Chacón (2009) FRODOCK: a new approach for fast rotational protein-protein docking Bioinformatics, 25, 2544-2551 If you go to the webpage (http://chac

Re: [ccp4bb] Modelling protein/protein interfaces

2018-01-26 Thread Tristan Croll
I've been quite impressed by ClusPro (https://cluspro.bu.edu) in the past. Rather than pure rigid-body docking it makes some (pretty good) effort to adjust interacting sidechains into reasonable arrangements. The advanced options also allow you to specify attractions and repulsions between spec

Re: [ccp4bb] Modelling protein/protein interfaces

2018-01-26 Thread Chandra
haddock may be an appropriate tool https://haddock.science.uu.nl/ On 26/1/2018 8:34 PM, Thomas Krey wrote: Dear colleagues, Is there any appropriate tool for docking an interacting protein to a relatively large protein-protein interface (>2500 A2). We are facing a hetero-oligomer for whic

[ccp4bb] Modelling protein/protein interfaces

2018-01-26 Thread Thomas Krey
Dear colleagues, Is there any appropriate tool for docking an interacting protein to a relatively large protein-protein interface (>2500 A2). We are facing a hetero-oligomer for which we approximately know the interfaces as well as the structures of the individual protomers and would like to mo