‘Clickable’ cyclopentadienyl iron carbonyl complexes for bioorthogonal conjugation of mid-infrared labels to a model protein and PAMAM dendrimer
Sign Up to like & getrecommendations! Published in 2019 at "Applied Organometallic Chemistry"
DOI: 10.1002/aoc.4798
Abstract: Owing to the intrinsic limitations of the conventional bioconjugation methods involving proteins native nucleophilic functions, we sought to develop alternative approaches to introduce metallocarbonyl infrared labels onto proteins on the basis of the [3+2] dipolar… read more here.
Keywords: cyclopentadienyl iron; model protein; pamam dendrimer; infrared labels ... See more keywords
Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.0c00524
Abstract: A fundamental requirement to predict the native conformation, address questions of sequence design and optimization, and gain insights into the folding mechanisms of proteins lies in the definition of an unbiased reaction coordinate that reports… read more here.
Keywords: gap; energy; model protein; protein energetics ... See more keywords
Micromechanical model for protein materials: From macromolecules to macroscopic fibers.
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review E"
DOI: 10.1103/physreve.96.042407
Abstract: We propose a model for the mechanical behavior of protein materials. Based on a limited number of experimental macromolecular parameters (persistence and contour length) we obtain the macroscopic behavior of keratin fibers (human, cow, and… read more here.
Keywords: materials macromolecules; model protein; model; protein materials ... See more keywords
Statistical physics meets biochemistry: Wang-Landau sampling of the HP model of protein folding
Sign Up to like & getrecommendations! Published in 2019 at "American Journal of Physics"
DOI: 10.1119/1.5093292
Abstract: We describe a minimalistic model of a protein undergoing folding into its native (ground) state. This HP protein model is composed of a lattice polymer with two types of monomers: hydrophobic (H) and polar (P).… read more here.
Keywords: biochemistry; model protein; physics; protein folding ... See more keywords
MD-LBP: An Efficient Computational Model for Protein Subcellular Localization from HeLa Cell Lines Using SVM
Sign Up to like & getrecommendations! Published in 2020 at "Current Bioinformatics"
DOI: 10.2174/1574893614666190723120716
Abstract: The knowledge of subcellular location of proteins is essential to the comprehension of numerous protein functions. Accurate as well as computationally efficient and reliable automated analysis of protein localization imagery greatly depend on the calculation… read more here.
Keywords: protein; efficient computational; computational model; lbp efficient ... See more keywords
The Possible Mechanism of Amyloid Transformation Based on the Geometrical Parameters of Early-Stage Intermediate in Silico Model for Protein Folding
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23169502
Abstract: The specificity of the available experimentally determined structures of amyloid forms is expressed primarily by the two- and not three-dimensional forms of a single polypeptide chain. Such a flat structure is possible due to the… read more here.
Keywords: protein folding; mechanism; mechanism amyloid; amyloid transformation ... See more keywords