PROBLEM TO BE SOLVED: To provide an NMR structure analysis system, a method, and a program capable of heightening the efficiency of manual signal assignment, and confirming quickly the rightness of the assignment by being used jointly with a partially automated function or finding quickly an ...
structure elucidationTo test all possible interpretations of the ambiguous information from an HMBC diagram is a task that for a person is at best tedious and at worst impossible, but that is straightforward for a computer. That effective structure elucidation can be conducted in this manner is ...
Automated NMR Structure Calculation With CYANA 来自 Springer 喜欢 0 阅读量: 91 作者: P Güntert 摘要: This chapter gives an introduction to automated nuclear magnetic resonance (NMR) structure calculation with the program CYANA. Given a sufficiently complete list of assigned chemical shifts and ...
5a and Supplementary Movie 1). Such coaxial inter-helical conformations have previously been hypothesized to exist within the TAR ensemble based on the Mg2+ dependence of the inter-helical ensemble24 and a crystal structure of Ca2+-bound TAR33....
NMR structures can serve as a good source of search models in crystal structure determination by molecular replacement. However, owing to the inherent problems of NMR models, this procedure is not always straightforward. Here, an updated overview is presented with particular emphasis on the preparatio...
While most parameters of the MethylFLYA algorithm could be kept at the values that had been found optimal in earlier applications of the original FLYA algorithm34,36,43,44,45,46, specific optimization of a small number of parameters that are of relevance to structure-based methyl assignment wa...
A new approach to the implementation of a quantum computer by high-resolution nuclear magnetic resonance (NMR) is described. The key feature is that two or... BR Freeman - 《Chemical Physics Letters》 被引量: 181发表: 1998年 Recognizing small-circuit structure in two-qubit operators This work...
Automated methods for NMR structure determination of proteins are continuously becoming more robust. However, current methods addressing larger, more complex targets rely on analyzing 6–10 complementary spectra, suggesting the need for alternative appro
A 1H NMR database computer program has been developed to determine the primary structure of complex carbohydrates. The database contains carbohydrate structures, their corresponding 1H NMR data, and literature references. From an input list of chemical shift values, the program generates an output lis...
Protein solubility and stability depend on the co-solutes present. There is little theoretical basis for selection of suitable co-solutes. Some guidance is provided by the Hofmeister series, an empirical ordering of anions according to their effect on so