Table 2. Reported SFs.
Scoring function | Software implementations | Class | Reference(s) |
---|---|---|---|
ChemScore | GOLD, FRED, CScore, PRO_LEADS | Empirical | (Eldridge et al., 1997) |
eHiTS SF | eHiTS | Empirical | (Zsoldos et al., 2003) |
FlexX SF | FlexX | Empirical | (Rarey et al., 1996) |
Fresno | Standalone | Empirical | (Rognan et al., 1999) |
GlideScore | Glide | Empirical | (Friesner et al., 2004, 2006) |
Hammerhead SF | Hammerhead, Surflex, LigandFit | Empirical | (Jain, 1996) |
HINT | Standalone | Empirical | (Cozzini et al., 2002) |
LigScore | LigandFit | Empirical | (Krammer et al., 2005) |
PLP | LigandFit, FRED, DockIt | Empirical | (Gehlhaar et al., 1995) |
RankScore | FITTED | Empirical/FF | (Moitessier et al., 2006a) |
SAFE_p | None | Empirical/FF | (Sussman et al., 2002) |
SCORE | Standalone | Empirical | (Wang et al., 1998) |
SCORE 3.0 | PSI-DOCK | Empirical | (Pei et al., 2006) |
SCORE1 | LUDI | Empirical | (Böhm, 1994) |
SCORE2 | LUDI | Empirical | (Böhm, 1998) |
ScreenScore | FRED | Empirical/consensus | (Stahl and Rarey, 2001) |
SIE | Standalone | Empirical/FF | (Naim et al., 2007) |
SLIDE SCORE | SLIDE | Empirical | (Schnecke and Kuhn, 2000) |
VALIDATE | Standalone | Empirical/FF | (Head et al., 1996) |
X-Score | Standalone | Empirical/consensus | (Wang et al., 2002) |
AutoDock SF | AutoDock, SODOCK | FF/empirical | (Morris et al., 1998) |
DockScore | DOCK, CScore | FF | (Meng et al., 1992) |
GoldScore | GOLD, CScore | FF | (Jones et al., 1997) |
HADDOCK Score | HADDOCK | FF | (van Dijk et al., 2006b) |
ICM SF | ICM | FF | (Abagyan et al., 1994b) |
QXP SF | QXP/MCDOCK | FF | (McMartin and Bohacek, 1997) |
BLEEP | Standalone | Knowledge based | (Mitchell et al., 1999) |
DrugScoreCSD | Standalone | Knowledge based | (Velec et al., 2005) |
DrugScorePDB | Standalone | Knowledge based | (Gohlke et al., 2000) |
M-Score | Standalone | Knowledge based | (Yang et al., 2006) |
PMF | CScore, LigandFit, BioMedCAChe, DockIt | Knowledge based | (Muegge and Martin, 1999; Muegge, 2006) |
SMoG | SMoG | Knowledge based | (DeWitte and Shakhnovich, 1996; Ishchenko and Shakhnovich, 2002) |
Abbreviations: FF, force field; SF, scoring function.