Experimenters face challenges and limitations while analyzing glycoproteins due to their high flexibility, stereochemistry, anisotropic effects, and hydration phenomena. Computational studies complement experiments and have been used in characterization of the structural properties of glycoproteins. However, recent investigations revealed that computational studies face significant challenges as well. Here, we introduce and discuss some of these challenges and weaknesses in the investigations of glycoproteins. We also present requirements of future developments in computational biochemistry and computational biology areas that could be necessary for providing more accurate structural property analyses of glycoproteins using computational tools. Further theoretical strategies that need to be and can be developed are discussed herein.

中文翻译：

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糖蛋白研究中的挑战和局限：计算化学家的观点

由于糖蛋白的高灵活性、立体化学、各向异性效应和水合现象，实验者在分析糖蛋白时面临挑战和限制。计算研究补充了实验，并已用于表征糖蛋白的结构特性。然而，最近的调查表明，计算研究也面临着重大挑战。在这里，我们介绍并讨论了糖蛋白研究中的一些挑战和弱点。我们还提出了计算生物化学和计算生物学领域未来发展的要求，这对于使用计算工具提供更准确的糖蛋白结构特性分析可能是必要的。本文讨论了需要和可以开发的进一步理论策略。