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J Chem Theory Comput. 2008 May;4(5):819-34. doi: 10.1021/ct700324x.
2
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J Chem Theory Comput. 2008 Mar;4(3):435-47. doi: 10.1021/ct700301q.
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Martini Coarse-Grained Force Field: Extension to Carbohydrates.马蒂尼粗粒化力场:对碳水化合物的扩展。
J Chem Theory Comput. 2009 Dec 8;5(12):3195-210. doi: 10.1021/ct900313w. Epub 2009 Oct 30.
4
Membrane-mediated effect on ion channels induced by the anesthetic drug ketamine.麻醉药物氯胺酮对离子通道的膜介导作用。
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Biophys J. 2010 May 19;98(10):L47-9. doi: 10.1016/j.bpj.2010.01.064.
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脂质模拟:作用中的脂质视角。

Lipid simulations: a perspective on lipids in action.

机构信息

Department of Physics, Tampere University of Technology, Finland.

出版信息

Cold Spring Harb Perspect Biol. 2011 Apr 1;3(4):a004655. doi: 10.1101/cshperspect.a004655.

DOI:10.1101/cshperspect.a004655
PMID:21441592
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3062216/
Abstract

In this article, we provide an overview of lipid simulations, describing how a computer can be used as a laboratory for lipid research. We briefly discuss the methodology of lipid simulations followed by a number of topical applications that show the benefit of computer modeling for complementing experiments. In particular, we show examples of cases in which simulations have made predictions of novel phenomena that have later been confirmed by experimental studies. Overall, the applications discussed in this article focus on the most recent state of the art and aim to provide a perspective of where the field of lipid simulations stands at the moment.

摘要

在本文中,我们提供了脂质模拟的概述,描述了如何将计算机用作脂质研究的实验室。我们简要讨论了脂质模拟的方法,然后介绍了一些热门应用,这些应用展示了计算机建模对补充实验的好处。特别是,我们展示了一些案例,其中模拟预测了新现象,这些现象后来被实验研究证实。总的来说,本文讨论的应用重点关注脂质模拟的最新技术水平,旨在提供对该领域目前状况的看法。