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Hi Chris,
try these:
Ha, S., Andreani, R., Robbins, A. and Muegge, I. J Comput Aided Mol Des 14(5): 435-48.(2000).Evaluation of docking/scoring approaches: a comparative study based on MMP3 inhibitors. Kramer, B., Rarey, M. and Lengauer, T. Proteins 37(2): 228-41.(1999).Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking. Stahl, M. Persp. Drug Disc. Des. 20: 83-98.(2000).Modifications of the scoring function in FlexX for virtual screening applications. Bissantz, C., Folkers, G. and Rognan, D. J. Med. Chem. 43: 4759-4767.(2000).Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations. Hope this helps, Carsten |