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Titolo:
The third leg: Molecular dynamics simulations of lipid binding proteins
Autore:
Woolf, TB; Tychko, M;
Indirizzi:
Johns Hopkins Univ, Dept Physiol, Baltimore, MD 21205 USA Johns Hopkins Univ Baltimore MD USA 21205 hysiol, Baltimore, MD 21205 USA
Titolo Testata:
MOLECULAR AND CELLULAR BIOCHEMISTRY
fascicolo: 1-2, volume: 192, anno: 1999,
pagine: 143 - 156
SICI:
0300-8177(199902)192:1-2<143:TTLMDS>2.0.ZU;2-#
Fonte:
ISI
Lingua:
ENG
Soggetto:
FATTY-ACID-BINDING; FLUORESCENT-PROBE ADIFAB; ELECTROSTATIC INTERACTIONS; ESCHERICHIA-COLI; LYSINE RESIDUES; MEMBRANES; ADIPOCYTE; RESOLUTION; FORCES; HEART;
Keywords:
molecular dynamics; LBP; FABP; structure-function protein-lipid interactions; rational drug design;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
42
Recensione:
Indirizzi per estratti:
Indirizzo: Woolf, TB Johns Hopkins Univ, Dept Physiol, 725 N Wolfe St, Baltimore, MD 21205 USA Johns Hopkins Univ 725 N Wolfe St Baltimore MD USA 21205 205 USA
Citazione:
T.B. Woolf e M. Tychko, "The third leg: Molecular dynamics simulations of lipid binding proteins", MOL C BIOCH, 192(1-2), 1999, pp. 143-156

Abstract

Molecular dynamics computer simulations can provide a third leg which balances the contributions of both structural biology and binding studies performed on the lipid binding protein family. In this context, these calculations help to establish a dialogue between all three communities, by relating experimental observables with details of structure. Working towards this connection is important, since experience has shown the difficulty of inferring thermodynamic properties from a single static conformation. The challenge is exemplified by ongoing attempts to interpret the impact of mutagenesison structure and function (i.e. binding). A detailed atomic-level understanding of this system could be achieved with the support of all three legs, paving the way towards rational design of proteins with novel specificities. This paper provides an outline of the connections possible between experiment and theory concerning lipid binding proteins.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 09/07/20 alle ore 20:57:28