Subject: Re: CCL:linux cluster vs intranet

From: a3arzi <[email-masked]>
Date: Sat, 6 Oct 2001 05:32:23 +0200

Hi,

Have anybody any idea how to evaluate the solvatation influence to
docking of ligands with strongly solvated functional groups ???

What king of software could solve that ?
For example, AutoDock have solvatation of macro-molecule, but if I
understand well, these solvatation parametres are mostly introduced
for establishing hydrophobic/hydrophylic regions...

Best regards
Arturas Z.

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From: a3arzi <[email-masked]>
Date: Sat, 6 Oct 2001 06:54:14 +0200

Hi,

What kind of software could solve that ?
For example, AutoDock have solvatation of macro-molecule, but if I
understand well, these solvatation parametres are mostly introduced
for establishing hydrophobic/hydrophylic regions...

Best regards
Arturas Z.

P.S. sorry for dublicated message