RtxPresentations07 - page 2518-2519

MolecularModelingResults:
• Initial attemptswere not successful
• Evaluateddifferent force fields –AMBER
• Modified calculations basedonwork ofA.Z.
Panagiotopoulos
• Demeton-OonPDMSphase:
– Observed ∆G= -1.14E4 J/mol
– Calculated ∆G= -1.13E4 J/mol