Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
Trans‐acting translational regulatory RNA binding proteins
The canonical molecular machinery required for global mRNA translation and its control has
been well defined, with distinct sets of proteins involved in the processes of translation …
been well defined, with distinct sets of proteins involved in the processes of translation …
Aggregation landscapes of Huntingtin exon 1 protein fragments and the critical repeat length for the onset of Huntington's disease
M Chen, PG Wolynes - … of the National Academy of Sciences, 2017 - National Acad Sciences
Huntington's disease (HD) is a neurodegenerative disease caused by an abnormal
expansion in the polyglutamine (polyQ) track of the Huntingtin (HTT) protein. The severity of …
expansion in the polyglutamine (polyQ) track of the Huntingtin (HTT) protein. The severity of …
Invasive mussels fashion silk-like byssus via mechanical processing of massive horizontally acquired coiled coils
M Simmons, N Horbelt, T Sverko… - Proceedings of the …, 2023 - National Acad Sciences
Zebra and quagga mussels (Dreissena spp.) are invasive freshwater biofoulers that
perpetrate devastating economic and ecological impact. Their success depends on their …
perpetrate devastating economic and ecological impact. Their success depends on their …
Coiled-coil motifs of RNA-binding proteins: dynamicity in RNA regulation
Neuronal granules are biomolecular condensates that concentrate high quantities of RNAs
and RNA-related proteins within neurons. These dense packets of information are trafficked …
and RNA-related proteins within neurons. These dense packets of information are trafficked …
Exploring the structural acrobatics of fold-switching proteins using simplified structure-based models
I Retamal-Farfán, J González-Higueras… - Biophysical …, 2023 - Springer
Metamorphic proteins are a paradigm of the protein folding process, by encoding two or
more native states, highly dissimilar in terms of their secondary, tertiary, and even …
more native states, highly dissimilar in terms of their secondary, tertiary, and even …
Dimerization of α-Synuclein fragments studied by isothermal–isobaric replica-permutation molecular dynamics simulation
M Yamauchi, H Okumura - Journal of Chemical Information and …, 2021 - ACS Publications
Aggregates and fibrils of intrinsically disordered α-synuclein are associated with Parkinson's
disease. Within a non-amyloid β component (NAC) spanning from the 61st to the 95th …
disease. Within a non-amyloid β component (NAC) spanning from the 61st to the 95th …
Divergent CPEB prion-like domains reveal different assembly mechanisms for a generic amyloid-like fold
R Hervás, M del Carmen Fernández-Ramírez… - BMC biology, 2021 - Springer
Background Amyloids are ordered, insoluble protein aggregates, characterized by a cross-β
sheet quaternary structure in which molecules in a β-strand conformation are stacked along …
sheet quaternary structure in which molecules in a β-strand conformation are stacked along …
The aggregation free energy landscapes of polyglutamine repeats
Aggregates of proteins containing polyglutamine (polyQ) repeats are strongly associated
with several neurodegenerative diseases. The length of the repeats correlates with the …
with several neurodegenerative diseases. The length of the repeats correlates with the …
Finite element modeling of α-helices and tropocollagen molecules referring to spike of SARS-CoV-2
T Wierzbicki, Y Bai - Biophysical Journal, 2022 - cell.com
The newly developed finite element (FE) modeling at the atomic scale was used to predict
the static and dynamic response of the α-helix (AH) and tropocollagen (TC) protein …
the static and dynamic response of the α-helix (AH) and tropocollagen (TC) protein …