Challenges and limitations in the studies of glycoproteins: A computational chemist's perspective
[ X ]
Tarih
2021
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
WILEY
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
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.
Açıklama
Anahtar Kelimeler
Classical Molecular Simulations, Experimental Tools, Glycoproteins, Machine Learning, Quantum Mechanics, Molecular Mechanics, Klassische Molekulare Simulationen, Experimentelle Werkzeuge, Glykoproteine, Maschinelles Lernen, Quantenmechanik, Molekulare Mechanik, Klasik Moleküler Simülasyonlar, Deneysel Araçlar, Glikoproteinler, Kuantum Mekaniği, Moleküler Mekanik
Kaynak
Proteins Structure, Function, and Bioinformatics
WoS Q Değeri
Q2
Scopus Q Değeri
Q1
Cilt
90
Sayı
2
Künye
Ballı, Ö. İ., Uversky, V. N., Durdağı, S., & Coşkuner Weber, O. (2021). Challenges and limitations in the studies of glycoproteins: A computational chemist's perspective. Proteins: Structure, Function, and Bioinformatics.
