Current stage and future perspectives for homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing for intrinsically disordered proteins and proteins with intrinsically disordered regions
Yükleniyor...
Dosyalar
Tarih
2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The structural ensembles of intrinsically disordered proteins (IDPs) and proteins with intrinsically disordered regions (IDRs) cannot be easily characterized using conventional experimental techniques. Computational techniques complement experiments and provide useful insights into the structural ensembles of IDPs and proteins with IDRs. Herein, we discuss computational techniques such as homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing that can be applied to the studies of IDPs and hybrid proteins with IDRs. We also provide useful future perspectives for computational techniques that can be applied to IDPs and hybrid proteins containing ordered domains and IDRs.
Açıklama
Anahtar Kelimeler
Homology modeling, Molecular dynamics simulations, Machine learning with molecular dynamics, Quantum computing, Intrinsically disordered proteins, Proteins with intrinsically disordered regions
Kaynak
Current Protein & Peptide Science
WoS Q Değeri
Scopus Q Değeri
Cilt
25
Sayı
2
Künye
Coşkuner Weber, O., Uversky, Vladimir N. (2024). Current stage and future perspectives for homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing for intrinsically disordered proteins and proteins with intrinsically disordered regions. Current Protein & Peptide Science, 25 (2), 163-171.
