NMR ANALYSIS OF MOLECULAR FLEXIBILITY IN SOLUTION - A NEW METHOD FOR THE STUDY OF COMPLEX DISTRIBUTIONS OF RAPIDLY EXCHANGING CONFORMATIONS - APPLICATION TO A 13-RESIDUE PEPTIDE WITH AN 8-RESIDUE LOOP
NMR ANALYSIS OF MOLECULAR FLEXIBILITY IN SOLUTION - A NEW METHOD FOR THE STUDY OF COMPLEX DISTRIBUTIONS OF RAPIDLY EXCHANGING CONFORMATIONS - APPLICATION TO A 13-RESIDUE PEPTIDE WITH AN 8-RESIDUE LOOP
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DOI：
10.1021/ja00108a019
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发表时间：
1995-01-25
影响因子：
15
通讯作者：
BAZZO, R
中科院分区：
文献类型：
--
作者：
CICERO, DO;BARBATO, G;BAZZO, R
介绍了一种新的分析溶液中柔性分子的方法--NAMFIS（NMR分析溶液中的分子柔性）。一旦生成了一套完整的构象，并且能够涵盖与现有实验NMR证据不先验不相容的分子的所有可能状态，NAMFIS允许检查二级结构的任意元素的发生和相关性，即使广泛的构象平均值无法进行详细的实验表征。分析是基于可用的实验NMR数据。
A new methodology, called NAMFIS (NMR analysis of molecular flexibility in solution), is described for the analysis of flexible molecules in solution. Once a complete set of conformations is generated and is able to encompass all the possible states of the molecule that are not a priori incompatible with the available experimental NMR evidence, NAMFIS allows for the examination of the occurrence and relevance of arbitrary elements of secondary structure, even when extensive conformational averaging defies a detailed experimental characterization. The:analysis is based on the available experimental NMR data.