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Results: 1-25 | 26-26
Results: 1-25/26
Molecular dynamics studies on HIV-1 protease drug resistance and folding pathways
Authors: Cecconi, F Micheletti, C Carloni, P Maritan, A
Citation: F. Cecconi et al., Molecular dynamics studies on HIV-1 protease drug resistance and folding pathways, PROTEINS, 43(4), 2001, pp. 365-372
Ser133 phosphate-KIX interactions in the CREB-CBP complex: an ab initio molecular dynamics study
Authors: Dal Peraro, M Alber, F Carloni, P
Citation: M. Dal Peraro et al., Ser133 phosphate-KIX interactions in the CREB-CBP complex: an ab initio molecular dynamics study, EUR BIOPHYS, 30(1), 2001, pp. 75-81
Arginine-phosphate salt bridges in protein-DNA complexes: a Car-Parrinellostudy
Authors: Frigyes, D Alber, F Pongor, S Carloni, P
Citation: D. Frigyes et al., Arginine-phosphate salt bridges in protein-DNA complexes: a Car-Parrinellostudy, J MOL ST-TH, 574, 2001, pp. 39-45
The rational of catalytic activity of herpes simplex virus thymidine kinase - A combined biochemical and quantum chemical study
Authors: Sulpizi, M Schelling, P Folkers, G Carloni, P Scapozza, L
Citation: M. Sulpizi et al., The rational of catalytic activity of herpes simplex virus thymidine kinase - A combined biochemical and quantum chemical study, J BIOL CHEM, 276(24), 2001, pp. 21692-21697
Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site
Authors: Piana, S Sebastiani, D Carloni, P Parrinello, M
Citation: S. Piana et al., Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site, J AM CHEM S, 123(36), 2001, pp. 8730-8737
Cation-pi versus OH-pi interactions in proteins: A density functional study
Authors: Sulpizi, M Carloni, P
Citation: M. Sulpizi et P. Carloni, Cation-pi versus OH-pi interactions in proteins: A density functional study, J PHYS CH B, 104(43), 2000, pp. 10087-10091
Key steps of the cis-platin-DNA interaction: Density functional theory-based molecular dynamics simulations
Authors: Carloni, P Sprik, M Andreoni, W
Citation: P. Carloni et al., Key steps of the cis-platin-DNA interaction: Density functional theory-based molecular dynamics simulations, J PHYS CH B, 104(4), 2000, pp. 823-835
Ab initio molecular dynamics studies on HIV-1 reverse transcriptase triphosphate binding site: Implications for nucleoside-analog drug resistance
Authors: Alber, F Carloni, P
Citation: F. Alber et P. Carloni, Ab initio molecular dynamics studies on HIV-1 reverse transcriptase triphosphate binding site: Implications for nucleoside-analog drug resistance, PROTEIN SCI, 9(12), 2000, pp. 2535-2546
A comparative study of galactose oxidase and active site analogs based on QM/MM Car Parrinello simulations
Authors: Rothlisberger, U Carloni, P Doclo, K Parrinello, M
Citation: U. Rothlisberger et al., A comparative study of galactose oxidase and active site analogs based on QM/MM Car Parrinello simulations, J BIOL I CH, 5(2), 2000, pp. 236-250
A study on the interactions between coenzyme Q(0) and superoxide anion. Could ubiquinones mimic superoxide dismutase (sod)?
Authors: Petrucci, R Giorgini, E Damiani, E Carloni, P Marrosu, G Trazza, A Littarru, GP Greci, L
Citation: R. Petrucci et al., A study on the interactions between coenzyme Q(0) and superoxide anion. Could ubiquinones mimic superoxide dismutase (sod)?, RES CHEM IN, 26(3), 2000, pp. 269-282
Increased oxidative modification of albumin when illuminated in vitro in the presence of a common sunscreen ingredient: Protection by nitroxide radicals
Authors: Damiani, E Carloni, P Biondi, C Greci, L
Citation: E. Damiani et al., Increased oxidative modification of albumin when illuminated in vitro in the presence of a common sunscreen ingredient: Protection by nitroxide radicals, FREE RAD B, 28(2), 2000, pp. 193-201
Conformational flexibility of the catalytic Asp dyad in HIV-1 protease: anab initio study on the free enzyme
Authors: Piana, S Carloni, P
Citation: S. Piana et P. Carloni, Conformational flexibility of the catalytic Asp dyad in HIV-1 protease: anab initio study on the free enzyme, PROTEINS, 39(1), 2000, pp. 26-36
Reactivity of 2,2-diphenyl-1,2-dihydro-4-ethoxyquinolin-1-yloxyl towards oxygen- and carbon-centred radicals
Authors: Carloni, P Damiani, E Scattolini, M Stipa, P Greci, L
Citation: P. Carloni et al., Reactivity of 2,2-diphenyl-1,2-dihydro-4-ethoxyquinolin-1-yloxyl towards oxygen- and carbon-centred radicals, J CHEM S P2, (3), 2000, pp. 447-451
Proton dynamics in an enzyme model substrate: an ab initio molecular dynamics study
Authors: Pantano, S Alber, F Carloni, P
Citation: S. Pantano et al., Proton dynamics in an enzyme model substrate: an ab initio molecular dynamics study, J MOL ST-TH, 530(1-2), 2000, pp. 177-181
Evaluation of intramolecular equilibria in complexes formed between substituted imidazole ligands and nickel(II), copper(II) or zinc(II)
Authors: Sigel, H Saha, A Saha, N Carloni, P Kapinos, LE Griesser, R
Citation: H. Sigel et al., Evaluation of intramolecular equilibria in complexes formed between substituted imidazole ligands and nickel(II), copper(II) or zinc(II), J INORG BIO, 78(2), 2000, pp. 129-137
Water and potassium dynamics inside the KcsA K+ channel
Authors: Guidoni, L Torre, V Carloni, P
Citation: L. Guidoni et al., Water and potassium dynamics inside the KcsA K+ channel, FEBS LETTER, 477(1-2), 2000, pp. 37-42
The iron-sulfur bond in cytochrome c
Authors: Rovira, C Carloni, P Parrinello, M
Citation: C. Rovira et al., The iron-sulfur bond in cytochrome c, J PHYS CH B, 103(33), 1999, pp. 7031-7035
Dimethyl phosphate: Stereoelectronic versus environmental effects
Authors: Alber, F Folkers, G Carloni, P
Citation: F. Alber et al., Dimethyl phosphate: Stereoelectronic versus environmental effects, J PHYS CH B, 103(29), 1999, pp. 6121-6126
Reactivity of sulfur-centered radicals with indolinonic and quinolinic aminoxyls
Authors: Damiani, E Carloni, P Iacussi, M Stipa, P Greci, L
Citation: E. Damiani et al., Reactivity of sulfur-centered radicals with indolinonic and quinolinic aminoxyls, EUR J ORG C, (9), 1999, pp. 2405-2412
Reactivity of an indolinonic aminoxyl with superoxide anion and hydroxyl radicals
Authors: Damiani, E Carloni, P Stipa, P Greci, L
Citation: E. Damiani et al., Reactivity of an indolinonic aminoxyl with superoxide anion and hydroxyl radicals, FREE RAD RE, 31(2), 1999, pp. 113-121
Serine proteases: An ab initio molecular dynamics study
Authors: De Santis, L Carloni, P
Citation: L. De Santis et P. Carloni, Serine proteases: An ab initio molecular dynamics study, PROTEINS, 37(4), 1999, pp. 611-618
Conformational analysis of dimethyl phosphate in aqueous solution: a density functional theory-based molecular dynamics study
Authors: Alber, F Folkers, G Carloni, P
Citation: F. Alber et al., Conformational analysis of dimethyl phosphate in aqueous solution: a density functional theory-based molecular dynamics study, THEOCHEM, 489(2-3), 1999, pp. 237-245
Protein design is a key factor for subunit-subunit association
Authors: Clementi, C Carloni, P Maritan, A
Citation: C. Clementi et al., Protein design is a key factor for subunit-subunit association, P NAS US, 96(17), 1999, pp. 9616-9621
Ab initio molecular dynamics studies of a synthetic biomimetic model of galactose oxidase
Authors: Rothlisberger, U Carloni, P
Citation: U. Rothlisberger et P. Carloni, Ab initio molecular dynamics studies of a synthetic biomimetic model of galactose oxidase, INT J QUANT, 73(2), 1999, pp. 209-218
Potassium and sodium binding to the outer mouth of the K+ channel
Authors: Guidoni, L Torre, V Carloni, P
Citation: L. Guidoni et al., Potassium and sodium binding to the outer mouth of the K+ channel, BIOCHEM, 38(27), 1999, pp. 8599-8604
Risultati: 1-25 | 26-26