2H1630 Prediction of transmembrane helix configurations by computer simulations
نویسندگان
چکیده
منابع مشابه
Prediction of transmembrane helix configurations by replica-exchange simulations
We propose a method for predicting helical membrane protein structures by computer simulations. Our method consists of two parts. In the first part, amino-acid sequences of the transmembrane helix regions are obtained from one of existing WWW servers. In the second part, we perform a replica-exchange simulation of these transmembrane helices with some constraints and identify the predicted stru...
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It is estimated that 20% of genes in the human genome code for integral membrane proteins(IMPs) and some estimates are much higher. IMPs control a broad range of events essential to the proper functioning of cells, tissues and organisms. IMPs include the most common targets of clinically useful drugs, such as the G protein coupled receptors (GPCR), the target for more than 50% of prescription d...
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Summary: TMpro is a transmembrane (TM) helix prediction algorithm that uses language processing methodology for TM segment identification. It is primarily based on the analysis of statistical distributions of properties of amino acids in transmembrane segments. This paper describes the availability of TMpro on the internet via a web interface. The key features of the interface are: (i) Output i...
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The prediction of transmembrane (TM) helices plays an important role in the study of membrane proteins, given the relatively small number (approximately 0.5% of the PDB) of high-resolution structures for such proteins. We used two datasets (one redundant and one non-redundant) of high-resolution structures of membrane proteins to evaluate and analyse TM helix prediction. The redundant (non-redu...
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Dimerization of transmembrane (TM) α helices of membrane receptors plays a key role in signaling. We show that molecular dynamics simulations yield models of integrin TM helix heterodimers, which agree well with available NMR structures. We use a multiscale simulation approach, combining coarse-grained and subsequent atomistic simulation, to model the dimerization of wild-type (WT) and mutated ...
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ژورنال
عنوان ژورنال: Seibutsu Butsuri
سال: 2002
ISSN: 0582-4052,1347-4219
DOI: 10.2142/biophys.42.s121_2