乐胖代购免代理版

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This means that, when the functional motion of a protein is unknown, it should prove possible to predict it, since it amounts to guess a few values. However, without the help of additional experimental data, using normal coordinates for generating accurate conformers far away from the initial one is not so straightforward. To do so, a new approach is proposed: instead of building conformers directly with the values of a subset of normal coordinates, they are built in two steps, the conformer built with normal coordinates being just used for defining a set of distance constraints, the final conformer being built so as to match them. Note that this approach amounts to transform the problem of generating accurate protein conformers using normal coordinates into a better known one: the distance\u2010geometry problem, which is herein solved with the help of the ROSETTA software. In the present study, this approach allowed to rebuild accurately six large amplitude conformational changes, using at most six low\u2010frequency normal coordinates. As a consequence of the low\u2010dimensionality of the corresponding subspace, random exploration also proved enough for generating low\u2010energy conformers close to the known end\u2010point of the conformational change of the LAO binding protein, lysozyme T4 and adenylate kinase.<\/jats:p>","DOI":"10.1002\/jcc.26755","type":"journal-article","created":{"date-parts":[[2021,10,4]],"date-time":"2021-10-04T11:23:36Z","timestamp":1633346616000},"page":"2250-2257","update-policy":"http:\/\/dx.doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Normal\u2010mode driven exploration of protein domain motions"],"prefix":"10.1002","volume":"42","author":[{"ORCID":"http:\/\/orcid.org\/0000-0001-8589-2666","authenticated-orcid":false,"given":"Yves\u2010Henri","family":"Sanejouand","sequence":"first","affiliation":[{"name":"Facult\u00e9 des Sciences et des Techniques UFIP, UMR 6286 of CNRS Nantes 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