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Titolo:
CALCULATION OF RELATIVE BINDING AFFINITIES OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Autore:
CARSON M; YANG Z; BABU YS; MONTGOMERY JA;
Indirizzi:
UNIV ALABAMA,CTR MACROMOLEC CRYSTALLOG BIRMINGHAM AL 35294 BIOCRYST PHARMACEUT INC BIRMINGHAM AL 35244
Titolo Testata:
Acta crystallographica. Section D, Biological crystallography
, volume: 51, anno: 1995,
parte:, 4
pagine: 536 - 540
SICI:
0907-4449(1995)51:<536:CORBAO>2.0.ZU;2-0
Fonte:
ISI
Lingua:
ENG
Soggetto:
STRUCTURE-BASED DESIGN; 9-DEAZAGUANINE; DERIVATIVES; ENERGY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
15
Recensione:
Indirizzi per estratti:
Citazione:
M. Carson et al., "CALCULATION OF RELATIVE BINDING AFFINITIES OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS", Acta crystallographica. Section D, Biological crystallography, 51, 1995, pp. 536-540

Abstract

The competitive binding of inhibitors to purine nucleoside phosphorylase (PNP) has been experimentally measured. Fast and reliable computational methods to estimate binding would allow assessment of any proposed inhibitor before its synthesis. Binding-energy calculations with a representative set of PNP inhibitors were compared to the empirical values. Relatively simple and fast calculations were executed with X-PLOR, DelPhi and SoftDock. The computational results are mixed.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 23/09/20 alle ore 05:49:12