Characterization of the KRas G12D-inhibitor interactions by differential HDX-MS and molecular dynamics simulations

Characterization of the KRas G12D-inhibitor interactions by differential HDX-MS and molecular dynamics simulations

Hydrogen-deuterium exchange (HDX) combined with mass spectrometry (MS) is a powerful technique for studying changes in protein structure and dynamics upon ligand binding. Protein-ligand complexes can result in increased protection of peptide-bond amides in HDX indicating protein structure stabilizat...

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Bibliographic Details
Main Authors: Evgeniy V. Petrotchenko, Brandon Novy, Edith Nagy, Konstantin I. Popov, Jason B. Cross, Roopa Thapar, Christoph H. Borchers
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
hydrogen-deuterium exchange
mass spectrometry
molecular dynamics
proteindrug binding
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037025003307
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