Daniel Joseph Deredge

Multi-Ensemble Reweighting Enables Structural Interpretation of Differential HDX-MS

This paper introduces a multi-ensemble reweighting method for HDX-MS data to improve structural interpretation by accounting for deuterium loss, showing better accuracy than conventional methods.

MInt-HDX: Leveraging Hydrogen-Deuterium Exchange Mass Spectrometry and Machine-Learning to Improve Protein-Ligand Docking.

MInt-HDX improves protein-ligand docking by integrating HDX-MS data with machine learning and physics-based methods to enhance docking accuracy and ligand pose ranking.

Structural Dynamics of the Dengue Virus Non-structural 5 (NS5) Interactions with Promoter Stem Loop A (SLA)

This study investigates the structural dynamics of DENV2 NS5 interacting with SLA using SPR, HDX-MS, computational modeling, and cryoEM, revealing conformational changes and a conserved binding mode.

Linoleic acid metabolite, 13-S-hydroxyoctadecadienoic acid, suppresses cancer cell growth by inhibiting mTOR

The paper identifies 13-S-HODE as a tumor suppressive metabolite that inhibits mTOR by binding its ATP-binding domain, thereby suppressing cancer cell growth.

Identification of an intrinsically disordered region (IDR) in arginyltransferase 1 (ATE1)

This study identifies an intrinsically disordered region in mouse ATE1, contrasting with yeast ATE1, and suggests its role in facilitating complex formation with tRNAArg.