Wednesday, August 19, 2009

transmembrane protein modeling pt. 2

Protein-lipid_bilayer system generated with Schroedinger`s Desmond gives too large bilayer hole, which can contain water molecules after solvation. Some manuals recommended to make a local vdwradii.dat copy with modified C radius (0.5 [0.15 is default]). But 0.5 appears to be not enough (0.6 was used).

The Desmond Membrane Builder fuckup lies in fact that I can manually implement protein into membrane more accurately, but having more brainfucking post-processing. So it goes.

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