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325865959铜虫 (初入文坛)
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[求助]
请问有没有模拟酶分子酸碱耐受性的算法,软件,或者综述?
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见过模拟蛋白质热稳定性的算法,但是有没有模拟酶分子酸碱耐受性的算法呢?都是什么原理呀?一般工业酶改造需要用到提高酸碱耐受范围,是随机突变呢还是有理性设计的方法指导? [ Last edited by 325865959 on 2013-5-24 at 11:22 ] |
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325865959
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| pKD software: "The pKa values inproteins governthe pH-dependence of protein stability and enzymatic activity. A large number of mutagenesis experiments have been carried out in the last three decades to re-engineer the pH-activity and pH-stability profile of enzymes and proteins. We have developed the pKD webserver (http://polymerase.ucd.ie/pKa_Design), which predicts sets of point mutations that will change the pKa values of a set of target residues in a given direction, thus allowing for targeted re-design of the pH-dependent characteristics of proteins." |
2楼2013-05-27 12:50:53
325865959
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| PROPKA software: "The PROPKA Graphical User Interface (GUI) is a new tool for studying the pH-dependent properties of proteins such as charge and tabilization energy. It facilitates a quantitative analysis of pKa values of ionizable residues together with their structural determinants by providing a direct link between the pKa data, predicted by the PROPKA calculations, and the structure via the Visual Molecular Dynamics (VMD) program." |
3楼2013-05-27 12:55:56
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