Lu, X. Y.; Chen, Y. D.; Jiang, Y. J.; You, Q. D.;
Discovery of potential new InhA direct inhibitors based on
pharmacophore and 3D-QSAR analysis followed by in silico
screening.
Eur. J. Med. Chem.; 2009; 44(9); 3718-30.
De Luca, L.; Barreca, M. L.; Ferro, S.; Christ, F.; Iraci, N.; Gitto, R.;
Monforte A. M.; Debyser Z.; Chimirri A.;
Pharmacophore-based discovery of small-molecule inhibitors of
protein-protein interactions between HIV-1 integrase and cellular cofactor LEDGF/p75.
ChemMedChem
; 2009; 4(8); 1311-6.
Ausiello, G.; Gherardini, P. F.; Gatti, E.; Incani, O.; Helmer-Citterich, M.
Structural motifs recurring in different folds recognize the same ligand fragments.
BMC Bioinformatics
; 2009; 10; 182.
Maccari, R.; Ottanā, R.; Ciurleo R.; Paoli, P.; Manao, G.; Camici, G.; Laggner, C.; Langer, T.;
Structure-based optimization of benzoic acids as inhibitors of protein tyrosine phosphatase
1B and low molecular weight protein tyrosine phosphatase.
ChemMedChem
; 2009; 4(6); 957-62.
Perdih A.; Bren, U.; Solmajer, T.;
Binding free energy calculations of N-sulphonyl-glutamic acid inhibitors of MurD ligase.
J. Molec. Modeling
; 2009; 15(8); 983-996.
Barreca, M. L.; De Luca, L.; Iraci, N.; Rao, A.; Ferro, S.;
Maga, G.; Chimirri, A; Structure-based pharmacophore identification
of new chemical scaffolds as non-nucleoside reverse transcriptase
inhibitors.
J. Chem. Inf. Model
; 2007; 47(2);
557-562.
Steindl, T. M; Schuster, Laggner, C.; Chuang, K.; Hoffmann,
R.; Langer, T.; Parallel screening and activity profiling with HIV
protease inhibitor pharmacophore models.
J. Chem. Inf.
Model
; 2007; 47(2); 563-571.
Steindl, T. M; Schuster, D.; Wolber, G.; Laggner, C.; Langer,
T.; High-throughput structure-based pharmacophore modelling as a
basis for successful parallel virtual screening
J.
Comput. Aided Mol. Des.
; 2006; 20(12); 703-715.
Schuster, D.; Laggner, C.; Steindl, T. M.; Langer, T.;
Development and validation of an in silico P450 profiler based on
pharmacophore models.
Curr. Drug Discov.
Technol.
; 2006; 3(1); 1-48.
Steindl, T. M; Schuster, D.; Laggner, C.; Langer, T.;
Parallel screening: a novel concept in pharmacophore modeling and
virtual screening.
J. Chem. Inf. Model
; 2006;
46(5); 2146-2157.
Krovat, E. M.; Fruhwirth, K. H.; Langer, T.; Pharmacophore
identification, in silico screening, and virtual library design for
inhibitors of the Human Factor Xa.
J. Chem. Inf.
Model
; 2005; 45(1); 146-159.
