Simulated molecular dynamics trajectories of proteins and nucleic acids are often compared with nuclear magnetic resonance (NMR) data for the purposes of assessing the quality of the force field used or, equally important, trying to interpret ambiguous experimental data. In particular, nuclear Overhauser...
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As you progress with your research and ask for chemistry help online, remember the importance of structure, clarity, and data accuracy in your writing. Present your findings logically, support your arguments with empirical evidence, and ensure your sources are properly cited. A chemistry paper is ...
Thus, it is very important to identify these rate-controlling transition states and rate-controlling intermediates for both applied and basic research. Here, we present a method for doing that. 展开 关键词: Degree Energies Transition DOI: 10.1021/ja9065199 被引量: 158 ...
To address this issue, we recently launched the TmAlphaFold database, where predicted AlphaFold2 structures are embedded into the membrane plane and a quality assessment (plausibility of the membrane-embedded structure) is provided for each prediction using geometrical evaluation. In this paper, we ...
When these small molecules are released from the plastic matrix, they can impart increased toxicity to the material. Identification of toxic small molecules present in the plastic and measurement of their quantity is made through extractables and leachables (E&L) testing. The data obtained is then ...
aThe proposed sample preparation method will be particularly useful to closely inspect NMR-based urinary metabonomic data for the exploration of metabolic changes. 正在翻译,请等待... [translate] aan opening position highly favorable to you that cannot be justified 打开位置高度有利对不可能被辩解的您 ...
One aspect to consider here is that the MIDJA sample (N = 378) and especially cluster 2 were very small in size (N = 30). It is, therefore, possible that the present findings lack reliability. However, different biochemical patterns may be associated with different outcomes in ...
to take into account small differences in their annealing energetics (Fig.2a). The remaining NMR exchange parameters (Δω,R1, andR2of GS and two ESs) for the hybridization and isomerization steps were fixed to the values obtained from the two-state fit of the RD data measured for\({{{\...
In this paper, we address resonant systems intended to be used with the commercial main resonator present on all NMR or MRI instruments. The purpose of this approach is to get an improvement regarding the spatial localization and signal to noise ratio provided by an additional smaller coil. Both...