Knowledge-based potential of mean force

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[edit] Knowledge Based Scoring Functions

1. Knowledge based scoring functions are derived from a statistical analysis of structures of protein-ligand complex in the PDB.

2.Searches are made for each possible pair of atoms in contact with each others.

3.Interactions found to occur more frequently than would be predicted by random chance are considered attractive stabilizing and interactions that occur less frequently are considered repulsive (destabilising).

4.Examples are muegge's potential of mean force function and drug score.

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