Modelling the metabolic action of human and rat CYP1A2 and its relationship with the carcinogenicity of heterocyclic amines

RUTE DA FONSECA , MARIA CRISTINA MENZIANI , ANDRÉ MELO , MARIA JOÃO RAMOS
Molecular Physics 101 ( 17) 2731 -2741

8
2003
Theoretical descriptors for the quantitative rationalisation of plastocyanin mutant functional propertiess.

F. De Rienzo , G.H. Grant , M.C. Menziani
Journal of Computer-aided Molecular Design 16 ( 7) 501 -509

3
2002
A theoretical study of conformation-electronic structure relationships in benzensulfonamide inhibitors of the carbonic anhydrase enzyme

Pier G. De Benedetti , M.C. Menziani , M. Cocchi , C. Frassineti
Journal of Molecular Structure-theochem 183 393 -401

4
1989
Theoretical conformational analysis, electronic structure and molecular modelling studies in dihydropteroate synthase in hibition by multisubstituted s

Yu.A. Sokolov , M.C. Menziani , M. Cocchi , P.G. De Benedetti
Journal of Molecular Structure-theochem 233 293 -300

1
1991
Molecular orbital study of the nitrogen basicity of prazosin analogues in relation to their α1-adrenoceptor binding affinity

M. Cocchi , P.G. De Benedetti , M.C. Menziani , G. Rastelli
Journal of Molecular Structure-theochem 233 343 -351

14
1991
Computational simulations of stem‐cell factor/c‐Kit receptor interaction

M.C. Menziani , F. Fanelli , P.G. De Benedetti
Proteins 26 ( 1) 42 -54

2
1996
Theoretical investigation of IL-6 multiprotein receptor assembly

M.C. Menziani , F. Fanelli , P.G. De Benedetti
Proteins: Structure, Function, and Genetics 29 ( 4) 528 -548

11
1997
Conformational analysis and theoretical quantitative size and shape-affinity relationships of N4-protonated N1-arylpiperazine 5-HT1A serotoninergic ligands

M. Cocchi , F. Fanelli , M.C. Menziani , P.G. De Benedetti
Journal of Molecular Structure-theochem 397 129 -145

8
1997
Quantitative Structure−Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses

G. Lusvardi , G. Malavasi , F. Tarsitano , L. Menabue
Journal of Physical Chemistry B 113 ( 30) 10331 -10338

48
2009
α1-Adrenoceptor subtype selectivity: Molecular modelling and theoretical quantitative structure—affinity relationships

M.C. Menziani , M. Cocchi , R. Testa , A. Leonardi
Bioorganic & Medicinal Chemistry 5 ( 5) 809 -816

22
1997
Relevance of theoretical molecular descriptors in quantitative structure–activity relationship analysis of α1-adrenergic receptor antagonists

M.C. Menziani , M. Montorsi , P.G. De Benedetti , M. Karelson
Bioorganic & Medicinal Chemistry 7 ( 11) 2437 -2451

17
1999
Electronic and electrostatic aspects of carbonic anhydrase inhibition by sulphonamides

M.C. Menziani , M. Cocchi , P.G. De Benedetti
Journal of Molecular Structure-theochem 256 217 -229

6
1992
Theoretical quantitative structure-activity analysis of quinuclidine-based muscarinic cholinergic receptor ligands

F. Fanelli , M.C. Menziani , A. Carotti , P.G. De Benedetti
Journal of Molecular Structure-theochem 283 63 -71

8
1993
A molecular dynamics simulation of sequence-directed recognition peptides interacting with bigendothelin

M.C. Menziani , M. Cocchi , P.G. De Benedetti
Journal of Molecular Structure-theochem 286 95 -108

1
1993
The heuristic-direct approach to theoretical quantitative structure-activity relationship analysis of α1-adrenoceptor ligands

F. Fanelli , M.C. Menziani , M. Cocchi , A. Leonardi
Journal of Molecular Structure: THEOCHEM 314 ( 3) 265 -276

13
1994
Theoretical quantitative size and shape activity and selectivity analyses of 5-HT1A serotonin and α1-adrenergic receptor ligands

P.G. De Benedetti , M. Cocchi , M.C. Menziani , F. Fanelli
Journal of Molecular Structure-theochem 305 101 -110

13
1994
Comparative molecular dynamics study of the seven-helix bundle arrangement of G-protein coupled receptors

F. Fanelli , M.C. Menziani , M. Cocchi , P.G. De Benedetti
Journal of Molecular Structure-theochem 333 49 -69

17
1995
Prototropic molecular forms and theoretical descriptors in QSAR analysis

P.G. De Benedetti , M.C. Menziani , M. Cocchi , F. Fanelli
Journal of Molecular Structure-theochem 333 1 -17

8
1995