نتایج جستجو برای: conformational study

تعداد نتایج: 3999303  

Journal: :Physical chemistry chemical physics : PCCP 2016
Mingjun Yang Thibault Angles d'Ortoli Elin Säwén Madhurima Jana Göran Widmalm Alexander D MacKerell

The conformation of saccharides in solution is challenging to characterize in the context of a single well-defined three-dimensional structure. Instead, they are better represented by an ensemble of conformations associated with their structural diversity and flexibility. In this study, we delineate the conformational heterogeneity of five trisaccharides via a combination of experimental and co...

Journal: :Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2016

Journal: :CrystEngComm 2022

Conformational flexibility of cyclen controlled by complexation with Ni( ii ) and Cu( as evidenced structural studies.

Journal: :journal of physical & theoretical chemistry 2011
b. chahkandi m. chahkandi s. m. sadati amin m. giahi

for better understanding of conformational stability of the dipeptide model hco—gly—l—leu—nh2,ab initio and dft computations at hf/6-31g(4 6-311++g(d,p) and b3lyp/6-31g(d) levels oftheory were carried out. geometry optimization of the dipeptide within the leucine (leu) side chainangles (x2 ,x2) resulted in three stable conformations as followings: anti-anti, the most stable one,(xi = 180°, x2 =...

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