Best Method for Calculating Solvent Accessible Surface Area?

[hefeweizen]

Hi,

what do you think is the best method to determine/calculate in a
computationally efficient way the solvent accessible surface area in
phenomena like protein folding or protein-ligand docking ?

Thanks

 

[jim mcnamara]

This is not my discipline but I recall reading about Midas and MidasPlus a while ago. I think you can still look at the code and see what is going on.

Here is an overview paper, you might take a look, it has a link to MidasPlus.
http://www.netsci.org/Science/Compchem/feature14e.html

 

[hefeweizen]

do you know where the code can be found ?

This is not my discipline but I recall reading about Midas and MidasPlus a while ago. I think you can still look at the code and see what is going on.

Here is an overview paper, you might take a look, it has a link to MidasPlus.
http://www.netsci.org/Science/Compchem/feature14e.html

 

[jim mcnamara]

Shows what I know... Midasplus was replaced by chimera a few years ago.

See:
http://www.cgl.ucsf.edu/Outreach/midasplus/index.html