ADL: Solvent model

Amjad Farooq amjad at farooqlab.net
Wed Mar 12 18:51:53 PDT 2014


Hi guys,

I am new to Autodock. It is not clear to me what assumptions are being made
in Autodock regarding the solvent effect. Is the solvent assumed to be
implicit? Can someone shed light on how the effect of solvent is taken into
consideration when calculating dG for protein-ligand interactions?

Thank you.


*AMJAD FAROOQ PhD DIC | Associate Professor*Dept of Biochemistry, University
of Miami School of Medicine
*Location*:  Gautier Building, Suite 217
*Address*:  1011 NW 15th Street #217, Miami , FL 33136, USA
*Contact*:   amjad at farooqlab.net | 305-243-2429
*Labpage*: farooqlab.net <http://www.farooqlab.net> |
structuropedia.org<http://dalton.med.miami.edu>


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