Works matching IS 00207608 AND DT 1999 AND VI 73 AND IP 2

Results: 19

Solute polarization and the design of cobalt complexes as redox-active therapeutic agents.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 229, doi. 10.1002/(SICI)1097-461X(1999)73:2<229::AID-QUA16>3.0.CO;2-#

By:

Wu, Jian Hui;
Winn, Peter J.;
Ferenczy, György G.;
Reynolds, Christopher A.

Publication type:

Article

Monte Carlo study of ligand-protein binding energy landscapes with the weighted histogram analysis method.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 113, doi. 10.1002/(SICI)1097-461X(1999)73:2<113::AID-QUA6>3.0.CO;2-9

By:

Bouzida, Djamal;
Rejto, Paul A.;
Verkhivker, Gennady M.

Publication type:

Article

Ab initio study of preferential interactions between aromatic side chains.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 175, doi. 10.1002/(SICI)1097-461X(1999)73:2<175::AID-QUA11>3.0.CO;2-4

By:

Alagona, Giuliano;
Ghio, Caterina;
Monti, Susanna

Publication type:

Article

Introduction.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 59, doi. 10.1002/(SICI)1097-461X(1999)73:2<59::AID-QUA1>3.0.CO;2-O

By:

Osman, Roman;
Alagona, Giuliano;
Ghio, Caterina

Publication type:

Article

Toward an effective and reliable representation of solvent effects in the study of biochemical systems.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 219, doi. 10.1002/(SICI)1097-461X(1999)73:2<219::AID-QUA15>3.0.CO;2-5

By:

Rega, Nadia;
Cossi, Maurizio;
Barone, Vincenzo;
Pomelli, Christian Silvio;
Tomasi, Jacopo

Publication type:

Article

Homology modeling and ab initio calculations identify a basis for ligand selectivity for the PPARγ nuclear hormone receptor.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 97, doi. 10.1002/(SICI)1097-461X(1999)73:2<97::AID-QUA5>3.0.CO;2-E

By:

Blaney, Frank E.

Publication type:

Article

List of Participants.

Published in:: International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 255, doi. 10.1002/(SICI)1097-461X(1999)73:2<255::AID-QUA19>3.0.CO;2-M
Publication type:: Article

Ab initio investigation of the structural and electronic differences between active-site models of [NiFe] and [NiFeSe] hydrogenases.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 187, doi. 10.1002/(SICI)1097-461X(1999)73:2<187::AID-QUA12>3.0.CO;2-X

By:

De Gioia, L.;
Fantucci, P.;
Guigliarelli, B.;
Bertrand, P.

Publication type:

Article

Computational modeling of catalysis and binding in low-molecular-weight protein tyrosine phosphatase.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 147, doi. 10.1002/(SICI)1097-461X(1999)73:2<147::AID-QUA9>3.0.CO;2-M

By:

Kolmodin, Karin;
Åqvist, Johan

Publication type:

Article

Ab initio molecular dynamics studies of a synthetic biomimetic model of galactose oxidase.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 209, doi. 10.1002/(SICI)1097-461X(1999)73:2<209::AID-QUA14>3.0.CO;2-B

By:

Rothlisberger, Ursula;
Carloni, Paolo

Publication type:

Article

Inhibitors of cytochrome P450 catalyzed insecticide metabolism: A rational approach.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 123, doi. 10.1002/(SICI)1097-461X(1999)73:2<123::AID-QUA7>3.0.CO;2-5

By:

Keserü, György M.;
Kolossváry, István;
Székely, István

Publication type:

Article

Correlated mutations in the HLA class II molecule.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 85, doi. 10.1002/(SICI)1097-461X(1999)73:2<85::AID-QUA4>3.0.CO;2-O

By:

Nilsson, Anna M.;
Wijaywardene, Mihirinie;
Gkoutos, George;
Wilson, Keith M.;
Fernández, Nelson;
Reynolds, Christopher A.

Publication type:

Article

G Protein-coupled receptor-bioligand interactions modeled in a phospholipid bilayer.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 61, doi. 10.1002/(SICI)1097-461X(1999)73:2<61::AID-QUA2>3.0.CO;2-7

By:

Czaplewski, Cezary;
Pasenkiewicz-Gierula, Marta;
Ciarkowski, Jerzy

Publication type:

Article

Serine peptidase catalytic machinery: Cooperative one-step mechanism.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 161, doi. 10.1002/(SICI)1097-461X(1999)73:2<161::AID-QUA10>3.0.CO;2-E

By:

Dive, G.;
Dehareng, D.

Publication type:

Article

Lineshape analysis of heme-protein-derived radicals based on simulation of EPR spectra.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 249, doi. 10.1002/(SICI)1097-461X(1999)73:2<249::AID-QUA18>3.0.CO;2-O

By:

Pogni, Rebecca;
Della Lunga, Giovanni;
Busi, Elena;
Basosi, Riccardo

Publication type:

Article

Active-site dynamics of ASADH-A bacterial biosynthetic enzyme.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 137, doi. 10.1002/(SICI)1097-461X(1999)73:2<137::AID-QUA8>3.0.CO;2-Q

By:

Hadfield, Andrea T.;
Mulholland, Adrian J.

Publication type:

Article

New aspects of H.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 197, doi. 10.1002/(SICI)1097-461X(1999)73:2<197::AID-QUA13>3.0.CO;2-R

By:

Pavlov, Maria;
Blomberg, Margareta R. A.;
Siegbahn, Per E. M.

Publication type:

Article

Theoretical study on receptor-G protein recognition: New insights into the mechanism of the α1b-adrenergic receptor activation.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 71, doi. 10.1002/(SICI)1097-461X(1999)73:2<71::AID-QUA3>3.0.CO;2-3

By:

Fanelli, Francesca;
Menziani, Cristina;
Scheer, Alexander;
Cotecchia, Susanna;
De Benedetti, Pier G.

Publication type:

Article

Computational approaches to the study of some lanthanide (III)-polyazamacrocyclic chelates for magnetic resonance imaging.

Published in:

International Journal of Quantum Chemistry, 1999, v. 73, n. 2, p. 237, doi. 10.1002/(SICI)1097-461X(1999)73:2<237::AID-QUA17>3.0.CO;2-W

By:

Henriques, Elsa S.;
Bastos, Margarida;
Geraldes, Carlos F. G. C.;
João Ramos, Maria

Publication type:

Article