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[RKL98b] M. Rarey, B. Kramer, and T. Lengauer
Docking of hydrophobic ligands with interaction-based matching algorithms
Bioinformatics, in press, 1999
[RKL98] M. Rarey, B. Kramer, and T. Lengauer
The particle concept: Placing discrete water molecules during
protein-ligand docking predictions
PROTEINS: Structure, Functions, and Genetics, Vol. 34, pp. 17-28, 1999
[RL98] B. Kramer, M. Rarey and T. Lengauer
CASP-2 experiences with docking flexible ligands using FlexX
PROTEINS: Structure, Functions, and Genetics, Suppl. 1:1, pp. 221-225, 1997
[KL97] M. Rarey, B. Kramer, and T. Lengauer
Multiple automatic base selection: Protein-ligand docking based on
incremental construction without manual intervention
Journal of Computer-Aided Molecular Design, Vol. 11, pp. 369-384, 1997
[L97] C. Lemmen and T. Lengauer
Time-efficient flexible superposition of medium-sized molecules
Journal of Computer-Aided Molecular Design, Vol. 11, pp. 357-368, 1997
[RWL96] M. Rarey, S. Wefing, and T. Lengauer
Placement of medium-sized molecular fragments into active sites of proteins
Journal of Computer-Aided Molecular Design, Vol. 10, pp. 41-54, 1996
[RWL95] M. Rarey, S. Wefing, and T. Lengauer
Time-Efficient Docking of Flexible Ligands into Active Sites of Proteins
In: RAWLINGS, C. ET AL.(Editors): Proceedings of the Third International Conference on Intellegent Systems in
Molecular Biology,
pp. 300-308. AAAI Press, Menlo Park, California, 1995
[RKL96] M. Rarey, B. Kramer, T. Lengauer, and G. Klebe [LR96] T. Lengauer and M. Rarey
[BKW77] F.C. Bernstein, T.F. Koetzle, G.J.B. Williams, E.F. Jr. Meyer, M.D. Brice,
J.R. Rodgers, O.Kennard, T. Shimanouchi, and M. Tasumi [B94] H.Böhm [HC88] J.Hoflack and P.J. De Clercq [HCC89] J. Hoflack, P.J. De Clercq, and S. Cauberghs [K94] G.Klebe [KM94] G. Klebe and T. Mietzner [K93] H. Kubinyi, editor [S88] L. Stryer
Predicting Receptor-Ligand Interactions by an Incremental Construction
Algorithm
Journal of Molecular Biology, Vol. 261/ 3, pp. 470-489, 1996
Computational Methods for Biomolecular Docking
Current Opinion in Structural Biology, Vol. 6, pp. 402-406, 1996
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