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List of works by Donald Hamelberg

Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective

scientific article

Combinatorial Coarse-Graining of Molecular Dynamics Simulations for Detecting Relationships between Local Configurations and Overall Conformations

article

Decoding Allosteric Communication Pathways in Cyclophilin A with a Comparative Analysis of Perturbed Conformational Ensembles

scientific article published on 13 June 2018

Detecting Functional Dynamics in Proteins with Comparative Perturbed-Ensembles Analysis

scientific article published on 03 December 2019

Elucidating Allosteric Communications in Proteins with Difference Contact Network Analysis

scientific article published on 11 July 2018

Enzyme-Mediated Conversion of Flavin Adenine Dinucleotide (FAD) to 8-Formyl FAD in Formate Oxidase Results in a Modified Cofactor with Enhanced Catalytic Properties.

scientific article published on 22 June 2017

Establishing a Framework of Using Residue-Residue Interactions in Protein Difference Network Analysis

scientific article published on 03 July 2019

Redox-Specific Allosteric Modulation of the Conformational Dynamics of κB DNA by Pirin in the NF-κB Supramolecular Complex.

scientific article published on 21 August 2017

Residue–Residue Contact Changes during Functional Processes Define Allosteric Communication Pathways

scientific article published on 20 January 2022

Second Generation G-Quadruplex Stabilizing Trimethine Cyanines

scientific article published on 26 September 2019

Substrate Sequence Determines Catalytic Activities, Domain-Binding Preferences, and Allosteric Mechanisms in Pin1

scientific article published on 13 June 2018

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