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Fast Free Energy Scoring Function

Rognan published the scoring function FRESNO (fast free energy scoring function), which considers a hydrogen-bond term, a lipophilic terra, a repulsive term for the buried polar surface, a rotational term, and a desolvation terra [82]. [Pg.611]

A logical work-around to the inaccuracy of fast scoring functions is the use of more rigorous binding free energy estimation methods for either prioritizing virtual hits... [Pg.164]

See other pages where Fast Free Energy Scoring Function is mentioned: [Pg.424] [Pg.365] [Pg.106] [Pg.63] [Pg.192] [Pg.24] [Pg.26] [Pg.28] [Pg.151] [Pg.51] [Pg.318] [Pg.146] [Pg.306] [Pg.4028] [Pg.7] [Pg.8] [Pg.210] [Pg.160] [Pg.165] [Pg.52] [Pg.483] [Pg.660]

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Energy score

Energy scoring

Free energy functional

Free energy functionals

Free functional

Scoring function