原创力文档recent developments in molecular dynamics simulations of fluorescent membrane probes最近的事态发展膜荧光探针的分子动力学模拟.pdfVIP
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recent developments in molecular dynamics simulations of fluorescent membrane probes最近的事态发展膜荧光探针的分子动力学模拟
Molecules 2011, 16, 5437-5452; doi:10.3390/molecule
OPEN ACCESS
molecules
ISSN 1420-3049
/journal/molecules
Review
Recent Developments in Molecular Dynamics Simulations of
Fluorescent Membrane Probes
Luís M. S. Loura 1,2 and J. P. Prates Ramalho 3,*
1 Faculdade de Farmácia, Universidade de Coimbra, Pólo das Ciências da Saúde, Azinhaga de Santa
Comba, 3000-548 Coimbra, Portugal; E-Mail: lloura@ff.uc.pt
2 Centro de Química de Coimbra, Universidade de Coimbra, Rua Larga, 3004-535 Coimbra, Portugal
3 Centro de Química de Évora e Departamento de Química, Escola de Ciências e Tecnologia,
Colégio Luís Verney, Rua Romão Ramalho 59, 7002-554 Évora, Portugal
* Author to whom correspondence should be addressed; E-Mail: pcar@uevora.pt;
Tel.: +351-266-745-300; Fax: +351-266-744-971.
Received: 29 March 2011; in revised form: 21 June 2011 / Accepted: 22 June 2011 /
Published: 27 June 2011
Abstract: Due to their sensitivity and versatility, the use of fluorescence techniques in
membrane biophysics is widespread. Because membrane lipids are non-fluorescent,
extrinsic membrane probes are widely used. However, the behaviour of these probes when
inserted in the bilayer is often poorly understood, and it can be hard to distinguish between
legitimate membrane properties and perturbation resulting from probe incorporation.
Atomistic molecular dynamics simulations present a convenient way to address these
issues and have been increasingly used in recent years in this context. This articl
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