Computational analysis of binding free energies, hotspots and the binding mechanism of Bcl-xL/Bcl-2 binding to Bad/Bax-Reference-Cited by-同舟云学术

Computational analysis of binding free energies, hotspots and the binding mechanism of Bcl-xL/Bcl-2 binding to Bad/Bax

Published:2021 Issue:3 Volume:23 Page:2025-2037
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duan Lili¹²³⁴^ORCID,Dong Shuheng¹²³⁴,Huang Kaifang¹²³⁴,Cong Yalong⁵⁶⁷⁸⁴,Luo Song¹²³⁴,Zhang John Z. H.⁵⁶⁷⁸⁴^ORCID

Affiliation:

1. School of Physics and Electronics

2. Shandong Normal University

3. Jinan 250014

4. China

5. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development

6. School of Chemistry and Molecular Engineering

7. East China Normal University

8. Shanghai

Abstract

Hierarchical clustering tree of residues providing contributions to system binding based on the binding free energy of specific residues for (A) Bcl-xL systems (B) Bcl-2 systems.

Funder

National Natural Science Foundation of China

Ministry of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04693K

Reference84 articles.

1. Apoptosis: A Basic Biological Phenomenon with Wideranging Implications in Tissue Kinetics

2. Apoptosis. Its significance in cancer and cancer Therapy

3. Involvement of the bcl -2 Gene in Human Follicular Lymphoma

4. Bcl-2 protein expression in carcinomas originating from the follicular epithelium of the thyroid gland

5. Bcl-2 inhibition of neural death: decreased generation of reactive oxygen species

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