tag) function generic() { translate(); }; //setup onload function if(typeof window.addEventListener != 'undefined') { //.. gecko, safari, konqueror and standard window.addEventListener('load', generic, false); } else if(typeof document.addEventListener != 'undefined') { //.. opera 7 document.addEventListener('load', generic, false); } else if(typeof window.attachEvent != 'undefined') { //.. win/ie window.attachEvent('onload', generic); } //** remove this condition to degrade older browsers else { //.. mac/ie5 and anything else that gets this far //if there's an existing onload function if(typeof window.onload == 'function') { //store it var existing = onload; //add new onload handler window.onload = function() { //call existing onload function existing(); //call generic onload function generic(); }; } else { //setup onload function window.onload = generic; } } Bioinformatics arena: Protein docking Software: ZDOCK

Saturday, July 29, 2006

Protein docking Software: ZDOCK

In protein docking, the structure of a complex between two proteins is predicted based on the independently crystallized structures of the components.

ZDOCK uses a fast Fourier transform to search all possible binding modes for the proteins, evaluating based on shape complementarity, desolvation energy, and electrostatics. The top 2000 predictions from ZDOCK are then given to RDOCK where they are minimized by CHARMM to improve the energies and eliminate clashes, and then the electrostatic and desolvation energies are recomputed by RDOCK (in a more detailed fashion than the calculations performed by ZDOCK).

For basic information on running ZDOCK, see this site.


posted by Caramuel @ 13:31   0 comments

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