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Advances in hydrogen/deuterium exchange mass spectrometry and the pursuit of challenging biological systems
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 …
Developments in hydrogen/deuterium exchange mass spectrometry
Chemistry” on HDX MS. 1 That review covered HDX MS applications from January 2012
through June 2014 and described the publications in terms of sector, geography, and topic …
through June 2014 and described the publications in terms of sector, geography, and topic …
Integrating Hydrogen Deuterium Exchange–Mass Spectrometry with Molecular Simulations Enables Quantification of the Conformational Populations of the Sugar …
A yet unresolved challenge in structural biology is to quantify the conformational states of
proteins underpinning function. This challenge is particularly acute for membrane proteins …
proteins underpinning function. This challenge is particularly acute for membrane proteins …
Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro
SARS-CoV-2, a human coronavirus, is the causative agent of the COVID-19 pandemic. Its
genome is translated into two large polyproteins subsequently cleaved by viral papain-like …
genome is translated into two large polyproteins subsequently cleaved by viral papain-like …
Integration of Hydrogen–Deuterium Exchange Mass Spectrometry with Molecular Dynamics Simulations and Ensemble Reweighting Enables High Resolution Protein …
Hydrogen–Deuterium exchange mass spectrometry's (HDX-MS) utility in identifying and
characterizing protein–small molecule interaction sites has been established. The regions …
characterizing protein–small molecule interaction sites has been established. The regions …
Conformational dynamics underlying atypical chemokine receptor 3 activation
O Otun, C Aljamous, E Del Nero… - Proceedings of the …, 2024 - pnas.org
Atypical Chemokine Receptor 3 (ACKR3) belongs to the G protein-coupled receptor family
but it does not signal through G proteins. The structural properties that govern the functional …
but it does not signal through G proteins. The structural properties that govern the functional …
Computational modeling of molecular structures guided by hydrogen-exchange data
Data produced by hydrogen-exchange monitoring experiments have been used in structural
studies of molecules for several decades. Despite uncertainties about the structural …
studies of molecules for several decades. Despite uncertainties about the structural …
[HTML][HTML] Data-driven molecular dynamics: a multifaceted challenge
The big data concept is currently revolutionizing several fields of science including drug
discovery and development. While opening up new perspectives for better drug design and …
discovery and development. While opening up new perspectives for better drug design and …
Conformational free-energy landscapes of a Na+/Ca2+ exchanger explain its alternating-access mechanism and functional specificity
F Marinelli, JD Faraldo-Gómez - Proceedings of the National Academy of …, 2024 - pnas.org
Secondary-active transporters catalyze the movement of myriad substances across all
cellular membranes, typically against opposing concentration gradients, and without …
cellular membranes, typically against opposing concentration gradients, and without …
Computational structure prediction for antibody-antigen complexes from hydrogen-deuterium exchange mass spectrometry: Challenges and outlook
Although computational structure prediction has had great successes in recent years, it
regularly fails to predict the interactions of large protein complexes with residue-level …
regularly fails to predict the interactions of large protein complexes with residue-level …