Does the mm-pbsa approach give more accurate binding free energy than combined FEP and ABF methods as implied in NAMD?

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Valery F.N

Using only MM-PBSA gives more accurate and reliable results for binding free energy calculations than the combined FEP and ABF methods implemented in NAMD.

Sk Jahiruddin

@Jason...Thank you very much for the detailed and very clearly explained answer..... As I'm very new in the field of molecular dynamics and free energy calculation, I was much confused after coming across so many free energy calculation method.... Thank you again....