Dear Experts,
How can we calculate the conformational entropy, vibrational entropy, entropy lost upon binding of a protein to a drug?
Can we calculate all these terms using MM-PBSA? I know there is a entropy terms in MM-PBSA, it is the entropy lost upon binding? If it is correct, how to calculate the conformational entropy and vibrational entropy?
Best regards,
Catherine
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Received on Fri May 25 2012 - 19:30:02 PDT
