Hydrogen Bonds
Noncovalent Attractions in Biomolecules
IR Spectrum Peak Broadening: Hydrogen Bonding
Intermolecular Forces
Van der Waals Interactions
Covalent Bonds
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Justyna D Kryś1, Dominik Gront1
1Faculty of Chemistry, Biological and Chemical Research Center, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland.
这项研究引入了一种新的方法来描述键,仅使用Cα位置进行蛋白质模拟. 新能源函数准确地识别了模拟中的键和蛋白质结构,就像模拟中的β-sheet一样.
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