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Challenges and limitations in the studies of glycoproteins: A computational chemist's perspective
(WILEY, 2021)
Experimenters face challenges and limitations while analyzing glycoproteins due to their high flexibility, stereochemistry, anisotropic effects, and hydration phenomena. Computational studies complement experiments and ...
Current challenges and limitations in the studies of intrinsically disordered proteins in neurodegenerative diseases by computer simulations
(Bentham Science Publishers, 2020)
Experiments face challenges in the analysis of intrinsically disordered proteins in solution due to fast conformational changes and enhanced aggregation propensity. Computational studies complement experiments, being widely ...
Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitions
(Academic Press Inc Elsevier Science, 2021)
Intrinsically disordered proteins (IDPs) lack a well-defined three-dimensional structure but do exhibit some dynamical and structural ordering. The structural plasticity of IDPs indicates that entropy-driven motions are ...