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. 2016 Nov 23;21(11):1604. doi: 10.3390/molecules21111604
SBDD Structure-Based Drug Design
IST Inhomogeneous Solvation Theory
GIST Grid Inhomogeneous Solvation Theory
HAS Hydration Site Analysis
MD Molecular Dynamics
PDB Protein Data Bank
RMSD Root Mean Square Deviation
FXa Factor Xa
DUD-E Directory of Useful Decoys-Enhanced
ROC Receiver Operating Characteristic
AUC Area Under the Curve
EF Enrichment Factor