One-Dimensional Structural Properties of Proteins in the Coarse-Grained CABS Model [PDF]
Despite the significant increase in computational power, molecular modeling of protein structure using classical all-atom approaches remains inefficient, at least for most of the protein targets in the focus of biomedical research. Perhaps the most successful strategy to overcome the inefficiency problem is multiscale modeling to merge all-atom and ...
arxiv +1 more source
NMR analysis of synthetic human serum albumin alpha-helix 28 identifies structural distortion upon amadori modification [PDF]
The non-enzymatic reaction between reducing sugars and long-lived proteins in vivo results in the formation of glycation and advanced glycation end products, which alter the properties of proteins including charge, helicity, and their tendency to ...
Howard, Mark J.+1 more
core +1 more source
Bayesian Segmentation of Protein Secondary Structure [PDF]
We present a novel method for predicting the secondary structure of a protein from its amino acid sequence. Most existing methods predict each position in turn based on a local window of residues, sliding this window along the length of the sequence. In contrast, we develop a probabilistic model of protein sequence/structure relationships in terms of ...
Douglas L. Brutlag+2 more
openaire +3 more sources
3-State Protein Secondary Structure Prediction based on SCOPe Classes
Improving the accuracy of protein secondary structure prediction has been an important task in bioinformatics since it is not only the starting point in obtaining tertiary structure in hierarchical modeling but also enhances sequence analysis and ...
Sema Atasever+3 more
doaj +1 more source
Conservation of structure and mechanism in primary and secondary transporters exemplified by SiaP, a sialic acid binding virulence factor from Haemophilus influenzae [PDF]
Extracytoplasmic solute receptors (ESRs) are important components of solute uptake systems in bacteria, having been studied extensively as parts of ATP binding cassette transporters.
Kelly, D.J.+7 more
core +2 more sources
Convolution-Bidirectional Temporal Convolutional Network for Protein Secondary Structure Prediction
As a basic feature extraction method, convolutional neural networks have some information loss problems when dealing with sequence problems, and a temporal convolutional network can compensate for this problem.
Yunqing Zhang, Yuming Ma, Yihui Liu
doaj +1 more source
Electrostatic interactions and secondary structures in proteins
In an attempt to understand the occurrences of secondary forms in proteins, we have calculated approximate free energies for a large set of regular secondary regions and have compared several methods for choosing a single molecular conformation. Approximate conformational free energies have been obtained by directly calculating electrostatic energies ...
Shousun C. Szu+2 more
openaire +3 more sources
Cow’s milk is considered an excellent protein source. However, the digestibility of milk proteins needs to be improved. This study aimed to evaluate the relationship between the functional properties of milk proteins and their structure upon microwave ...
Jin Wang+3 more
doaj +1 more source
Automated Protein Secondary Structure Assignment from Cα Positions Using Neural Networks
The assignment of secondary structure elements in protein conformations is necessary to interpret a protein model that has been established by computational methods.
Mohammad N. Saqib+2 more
doaj +1 more source
Two State Behavior in a Solvable Model of $\beta$-hairpin folding
Understanding the mechanism of protein secondary structure formation is an essential part of protein-folding puzzle. Here we describe a simple model for the formation of the $\beta$-hairpin, motivated by the fact that folding of a $\beta$-hairpin ...
A. Finkelstein+19 more
core +1 more source