Computational exploration of allosteric inhibitors targeting CDK4/CDK6 proteins: a promising approach for multi-target drug development-Reference-Cited by-同舟云学术

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Computational exploration of allosteric inhibitors targeting CDK4/CDK6 proteins: a promising approach for multi-target drug development

Published:2024-01-04 Issue: Volume: Page:1-19
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Khan Mahmood¹,Singh Kamaljot²,Khan Sara³,Ahmad Basharat⁴,Khushal Aneela³,Yingning Sun¹

Affiliation:

1. College of Life Sciences and agricultural forestry, Qiqihar University, Qiqihar, China

2. Department of Chemistry, faculty of Applied Sciences, Sri Guru Granth Sahib World University, Punjab, India

3. Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan

4. School of Life Sciences and Technology, University of Electronic Science and Technology of China, Chengdu, China

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2300121

Reference47 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Exploring multi-target inhibitors using in silico approach targeting cell cycle dysregulator–CDK proteins

3. Asthagiri D. N. & Beck T. L. (2023). Equilibration between translational and rotational modes in molecular dynamics simulations of rigid water requires a smaller integration time-step than often used. arXiv preprint arXiv:2308.08383

4. Cell Cycle Regulation by Checkpoints

5. A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication

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