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Results: 1-8 |
Results: 8
Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains
Authors: Verkhivker, GM Bouzida, D Gehlhaar, DK Rejto, PA Schaffer, L Arthurs, S Colson, AB Freer, ST Larson, V Luty, BA Marrone, T Rose, PW
Citation: Gm. Verkhivker et al., Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains, PROTEINS, 45(4), 2001, pp. 456-470
Parallel simulated tempering dynamics of ligand-protein binding with ensembles of protein conformations
Authors: Verkhivker, GM Rejto, PA Bouzida, D Arthurs, S Colson, AB Freer, ST Gehlhaar, DK Larson, V Luty, BA Marrone, T Rose, PW
Citation: Gm. Verkhivker et al., Parallel simulated tempering dynamics of ligand-protein binding with ensembles of protein conformations, CHEM P LETT, 337(1-3), 2001, pp. 181-189
Navigating ligand-protein binding free energy landscapes: universality anddiversity of protein folding and molecular recognition mechanisms
Authors: Verkhivker, GM Rejto, PA Bouzida, D Arthurs, S Colson, AB Freer, ST Gehlhaar, DK Larson, V Luty, BA Marrone, T Rose, PW
Citation: Gm. Verkhivker et al., Navigating ligand-protein binding free energy landscapes: universality anddiversity of protein folding and molecular recognition mechanisms, CHEM P LETT, 336(5-6), 2001, pp. 495-503
Deciphering common failures in molecular docking of ligand-protein complexes
Authors: Verkhivker, GM Bouzida, D Gehlhaar, DK Rejto, PA Arthurs, S Colson, AB Freer, ST Larson, V Luty, BA Marrone, T Rose, PW
Citation: Gm. Verkhivker et al., Deciphering common failures in molecular docking of ligand-protein complexes, J COMPUT A, 14(8), 2000, pp. 731-751
Examining ligand-protein interactions with binding-energy landscapes
Authors: Rejto, PA Bouzida, D Verkhivker, GM
Citation: Pa. Rejto et al., Examining ligand-protein interactions with binding-energy landscapes, THEOR CH AC, 101(1-3), 1999, pp. 138-142
Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 4. Incorporation of P-1 lactam moieties as L-glutamine replacements
Authors: Dragovich, PS Prins, TJ Zhou, R Webber, SE Marakovits, JT Fuhrman, SA Patick, AK Matthews, DA Lee, CA Ford, CE Burke, BJ Rejto, PA Hendrickson, TF Tuntland, T Brown, EL Meador, JW Ferre, RA Harr, JEV Kosa, MB Worland, ST
Citation: Ps. Dragovich et al., Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 4. Incorporation of P-1 lactam moieties as L-glutamine replacements, J MED CHEM, 42(7), 1999, pp. 1213-1224
Monte Carlo study of ligand-protein binding energy landscapes with the weighted histogram analysis method
Authors: Bouzida, D Rejto, PA Verkhivker, GM
Citation: D. Bouzida et al., Monte Carlo study of ligand-protein binding energy landscapes with the weighted histogram analysis method, INT J QUANT, 73(2), 1999, pp. 113-121
Computer simulations of ligand-protein binding with ensembles of protein conformations: A Monte Carlo study of HIV-1 protease binding energy landscapes
Authors: Bouzida, D Rejto, PA Arthurs, S Colson, AB Freer, ST Gehlhaar, DK Larson, V Luty, BA Rose, PW Verkhivker, GM
Citation: D. Bouzida et al., Computer simulations of ligand-protein binding with ensembles of protein conformations: A Monte Carlo study of HIV-1 protease binding energy landscapes, INT J QUANT, 72(1), 1999, pp. 73-84
Risultati: 1-8 |