Citation: A. Logean et al., Customized versus universal scoring functions: Application to class I MHC-peptide binding free energy predictions, BIOORG MED, 11(5), 2001, pp. 675-679
Authors:
Demuth, C
Zerbe, O
Rognan, D
Soll, R
Beck-Sickinger, A
Folkers, G
Spichiger, UE
Citation: C. Demuth et al., A rationally designed oligopeptide shows significant conformational changes upon binding to sulphate ions, BIOSENS BIO, 16(9-12), 2001, pp. 783-789
Citation: D. Rognan et al., NMR-restrained docking of a peptidic inhibitor to the N-terminal domain ofthe phosphoenolpyruvate : sugar phosphotransferase enzyme I, J COMPUT A, 15(2), 2001, pp. 103-115
Authors:
Reinelt, S
Marti, M
Dedier, S
Reitinger, T
Folkers, G
de Castro, JAL
Rognan, D
Citation: S. Reinelt et al., beta-amino acid scan of a class I major histocompatibility complex-restricted alloreactive T-cell epitope, J BIOL CHEM, 276(27), 2001, pp. 24525-24530
Authors:
Reinelt, S
Dedier, S
Asuni, G
Folkers, G
Rognan, D
Citation: S. Reinelt et al., Mutation of Cys-67 alters the thermodynamic stability of the human leukocyte antigen HLA-B2705, J BIOL CHEM, 276(21), 2001, pp. 18472-18477
Authors:
Rognan, D
Stryhn, A
Fugger, L
Lyngbaek, S
Engberg, J
Andersen, PS
Buus, S
Citation: D. Rognan et al., Modeling the interactions of a peptide-major histocompatibility class I ligand with its receptors. I. Recognition by two alpha beta T cell receptors, J COMPUT A, 14(1), 2000, pp. 53-69
Authors:
Rognan, D
Engberg, J
Stryhn, A
Andersen, PS
Buus, S
Citation: D. Rognan et al., Modeling the interactions of a peptide-major histocompatibility class I ligand with its receptors. II. Cross-reaction between a monoclonal antibody and two alpha beta T cell receptors, J COMPUT A, 14(1), 2000, pp. 71-82
Citation: C. Bissantz et al., Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations, J MED CHEM, 43(25), 2000, pp. 4759-4767
Authors:
Yague, J
Alvarez, I
Rognan, D
Ramos, M
Vazquez, J
de Castro, JAL
Citation: J. Yague et al., An N-acetylated natural ligand of human histocompatibility leukocyte antigen (HLA)-B39: Classical major histocompatibility complex class I proteins bind peptides with a blocked NH2 terminus in vivo, J EXP MED, 191(12), 2000, pp. 2083-2092
Authors:
Dedier, S
Reinelt, S
Reitinger, T
Folkers, G
Rognan, D
Citation: S. Dedier et al., Thermodynamic stability of HLA-B2705 center dot peptide complexes - Effect of peptide and major histocompatibility complex protein mutations, J BIOL CHEM, 275(35), 2000, pp. 27055-27061
Authors:
Rognan, D
Bissantz, C
Dedier, S
Logean, A
Reinelt, S
Citation: D. Rognan et al., Synergistic use of virtual screening and biophysical methods for the protein-based design of peptidomimetics, CHIMIA, 54(11), 2000, pp. 658-662
Authors:
Garcia-Peydro, M
Rognan, D
de Castro, JAL
Citation: M. Garcia-peydro et al., Limited plasticity in the recognition of peptide epitope variants by an alloreactive CTL clone correlates directly with conservation of critical residues and inversely with peptide length, TISSUE ANTI, 55(4), 2000, pp. 289-295
Citation: S. Krebs et al., Long-range effects in protein-ligand interactions mediate peptide specificity in the human major histocompatibility antigen HLA-B27 (B2701), PROTEIN SCI, 8(7), 1999, pp. 1393-1399
Authors:
Rognan, D
Lauemoller, SL
Holm, A
Buus, S
Tschinke, V
Citation: D. Rognan et al., Predicting binding affinities of protein ligands from three-dimensional models: Application to peptide binding to class I major histocompatibility proteins, J MED CHEM, 42(22), 1999, pp. 4650-4658
Authors:
Poenaru, S
Lamas, JR
Folkers, G
de Castro, JAL
Seebach, D
Rognan, D
Citation: S. Poenaru et al., Nonapeptide analogues containing (R)-3-hydroxybutanoate and beta-homoalanine oligomers: Synthesis and binding affinity to a class I major histocompatibility complex protein, J MED CHEM, 42(13), 1999, pp. 2318-2331