Publications by authors named "Lindy Astl"

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Dissecting Molecular Principles of the Hsp90 Chaperone Regulation by Allosteric Modulators Using a Hierarchical Simulation Approach and Network Modeling of Allosteric Interactions: Conformational Selection Dictates the Diversity of Protein Responses and Ligand-Specific Functional Mechanisms.
Lindy Astl, Gabrielle Stetz, Gennady M Verkhivker

J Chem Theory Comput· October 2020

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Exploring Mechanisms of Communication Switching in the Hsp90-Cdc37 Regulatory Complexes with Client Kinases through Allosteric Coupling of Phosphorylation Sites: Perturbation-Based Modeling and Hierarchical Community Analysis of Residue Interaction Networks.
Gabrielle Stetz, Lindy Astl, Gennady M Verkhivker

J Chem Theory Comput· July 2020

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Allosteric Mechanism of the Hsp90 Chaperone Interactions with Cochaperones and Client Proteins by Modulating Communication Spines of Coupled Regulatory Switches: Integrative Atomistic Modeling of Hsp90 Signaling in Dynamic Interaction Networks.
Lindy Astl, Gabrielle Stetz, Gennady M Verkhivker

J Chem Inf Model· July 2020

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Dynamic View of Allosteric Regulation in the Hsp70 Chaperones by J-Domain Cochaperone and Post-Translational Modifications: Computational Analysis of Hsp70 Mechanisms by Exploring Conformational Landscapes and Residue Interaction Networks.
Lindy Astl, Gennady M Verkhivker

J Chem Inf Model· March 2020

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Interrogating Regulatory Mechanisms in Signaling Proteins by Allosteric Inhibitors and Activators: A Dynamic View Through the Lens of Residue Interaction Networks.
Lindy Astl, Amanda Tse, Gennady M Verkhivker

Adv Exp Med Biol· November 2019

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Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Hsp70s.
Arnold Amusengeri, Lindy Astl, Kevin Lobb, Gennady M Verkhivker, Özlem Tastan Bishop

Int J Mol Sci· November 2019

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Data-driven computational analysis of allosteric proteins by exploring protein dynamics, residue coevolution and residue interaction networks.
Lindy Astl, Gennady M Verkhivker

Biochim Biophys Acta Gen Subj· July 2019

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Atomistic Modeling of the ABL Kinase Regulation by Allosteric Modulators Using Structural Perturbation Analysis and Community-Based Network Reconstruction of Allosteric Communications.
Lindy Astl, Gennady M Verkhivker

J Chem Theory Comput· May 2019

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