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Simulation of the conformational flexibility of the mycodextran under external forces
Biopolymers ( IF 2.9 ) Pub Date : 2020-05-05 , DOI: 10.1002/bip.23357
Agnieszka Brzyska 1 , Krzysztof Woliński 2
Affiliation  

Mycodextran—also known as nigeran—is an unbranched polysaccharide made of α‐d‐glucopyranose units alternatively connected by (1 → 3) and (1 → 4) glycosidic linkages produced intracellularly by Aspergillus niger and Penicillium crustosum. In this work we examine possible enforced conformational transitions in the glucopyranose rings in the nigeran oligosaccharide chains. In order to simulate such structural changes we used the Enforced Geometry Optimization (EGO) method.

中文翻译:

外力作用下真菌葡聚糖构象柔性的模拟

Mycodextran - 也称为 nigeran - 是一种无支链多糖,由 α-d-吡喃葡萄糖单元交替连接(1 → 3)和(1 → 4)糖苷键,由黑曲霉和硬壳青霉在细胞内产生。在这项工作中,我们检查了尼日利亚寡糖链中吡喃葡萄糖环中可能的强制构象转变。为了模拟这种结构变化,我们使用了强制几何优化 (EGO) 方法。
更新日期:2020-05-05
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