Advances in hydrogen/deuterium exchange mass spectrometry and the pursuit of challenging biological systems
EI James, TA Murphree, C Vorauer, JR Engen… - Chemical …, 2021 - ACS Publications
Solution-phase hydrogen/deuterium exchange (HDX) coupled to mass spectrometry (MS) is
a widespread tool for structural analysis across academia and the biopharmaceutical …
a widespread tool for structural analysis across academia and the biopharmaceutical …
The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies
SARS-CoV-2 is the causative agent of COVID-19, the ongoing global pandemic. It has
posed a worldwide challenge to human health as no effective treatment is currently …
posed a worldwide challenge to human health as no effective treatment is currently …
Exploring the sequence-based prediction of folding initiation sites in proteins
Protein folding is a complex process that can lead to disease when it fails. Especially poorly
understood are the very early stages of protein folding, which are likely defined by intrinsic …
understood are the very early stages of protein folding, which are likely defined by intrinsic …
Discrete analyses of protein dynamics
Protein structures are highly dynamic macromolecules. This dynamics is often analysed
through experimental and/or computational methods only for an isolated or a limited number …
through experimental and/or computational methods only for an isolated or a limited number …
The physical origin of rate promoting vibrations in enzymes revealed by structural rigidity
Y Chalopin - Scientific reports, 2020 - nature.com
Enzymes are the most efficient catalysts known to date. However, decades of research have
failed to fully explain the catalytic power of enzymes, and most of the current attempts to …
failed to fully explain the catalytic power of enzymes, and most of the current attempts to …
[HTML][HTML] Interpreting a black box predictor to gain insights into early folding mechanisms
Protein folding and function are closely connected, but the exact mechanisms by which
proteins fold remain elusive. Early folding residues (EFRs) are amino acids within a …
proteins fold remain elusive. Early folding residues (EFRs) are amino acids within a …
Observation selection bias in contact prediction and its implications for structural bioinformatics
Abstract Next Generation Sequencing is dramatically increasing the number of known
protein sequences, with related experimentally determined protein structures lagging …
protein sequences, with related experimentally determined protein structures lagging …
Application of an interpretable classification model on Early Folding Residues during protein folding
Background Machine learning strategies are prominent tools for data analysis. Especially in
life sciences, they have become increasingly important to handle the growing datasets …
life sciences, they have become increasingly important to handle the growing datasets …
Energy bilocalization effect and the emergence of molecular functions in proteins
Y Chalopin, J Sparfel - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
Proteins are among the most complex molecular structures, which have evolved to develop
broad functions, such as energy conversion and transport, information storage and …
broad functions, such as energy conversion and transport, information storage and …
Dynamics and deformability of α-, 310-and π-helices
Protein structures are often represented as seen in crystals as (i) rigid macromolecules (ii)
with helices, sheets and coils. However, both definitions are partial because (i) proteins are …
with helices, sheets and coils. However, both definitions are partial because (i) proteins are …