Astl L - Search Results

1

Interrogating Regulatory Mechanisms in Signaling Proteins by Allosteric Inhibitors and Activators: A Dynamic View Through the Lens of Residue Interaction Networks.

Astl L, Tse A, Verkhivker GM. Astl L, et al. Adv Exp Med Biol. 2019;1163:187-223. doi: 10.1007/978-981-13-8719-7_9. Adv Exp Med Biol. 2019. PMID: 31707705 Review.

2

Atomistic Modeling of the ABL Kinase Regulation by Allosteric Modulators Using Structural Perturbation Analysis and Community-Based Network Reconstruction of Allosteric Communications.

Astl L, Verkhivker GM. Astl L, et al. J Chem Theory Comput. 2019 May 14;15(5):3362-3380. doi: 10.1021/acs.jctc.9b00119. Epub 2019 May 2. J Chem Theory Comput. 2019. PMID: 31017783

3

Data-driven computational analysis of allosteric proteins by exploring protein dynamics, residue coevolution and residue interaction networks.

Astl L, Verkhivker GM. Astl L, et al. Biochim Biophys Acta Gen Subj. 2019 Jul 19:S0304-4165(19)30179-5. doi: 10.1016/j.bbagen.2019.07.008. Online ahead of print. Biochim Biophys Acta Gen Subj. 2019. PMID: 31330173

4

Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Plasmodium falciparum Hsp70s.

Amusengeri A, Astl L, Lobb K, Verkhivker GM, Tastan Bishop Ö. Amusengeri A, et al. Among authors: astl l. Int J Mol Sci. 2019 Nov 8;20(22):5574. doi: 10.3390/ijms20225574. Int J Mol Sci. 2019. PMID: 31717270 Free PMC article.

5

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.

Astl L, Verkhivker GM. Astl L, et al. J Chem Inf Model. 2020 Mar 23;60(3):1614-1631. doi: 10.1021/acs.jcim.9b01045. Epub 2020 Jan 21. J Chem Inf Model. 2020. PMID: 31935082

6

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.

Stetz G, Astl L, Verkhivker GM. Stetz G, et al. Among authors: astl l. J Chem Theory Comput. 2020 Jul 14;16(7):4706-4725. doi: 10.1021/acs.jctc.0c00280. Epub 2020 Jun 14. J Chem Theory Comput. 2020. PMID: 32492340

7

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.

Astl L, Stetz G, Verkhivker GM. Astl L, et al. J Chem Inf Model. 2020 Jul 27;60(7):3616-3631. doi: 10.1021/acs.jcim.0c00380. Epub 2020 Jun 18. J Chem Inf Model. 2020. PMID: 32519853

8

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.

Astl L, Stetz G, Verkhivker GM. Astl L, et al. J Chem Theory Comput. 2020 Oct 13;16(10):6656-6677. doi: 10.1021/acs.jctc.0c00503. Epub 2020 Sep 28. J Chem Theory Comput. 2020. PMID: 32941034

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