Assessing the structural dynamics of the glucose-6-phosphate dehydrogenase dimer interface using molecular dynamics simulation and ligand screening using computer aided drug discovery-Reference-Cited by-同舟云学术

Assessing the structural dynamics of the glucose-6-phosphate dehydrogenase dimer interface using molecular dynamics simulation and ligand screening using computer aided drug discovery

Published:2023-11 Issue:1 Volume:50 Page:63-74
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Louis Naveen Eugene¹,Hamza Muaawia Ahmed²,Engku Baharuddin Puteri Nur Sarah Diana¹,Chandran Shamini¹,Latif Nurriza Ab¹,Alonazi Mona Awad³,Jamalis Joazaizulfazli⁴,Warsy Arjumand⁵,Amran Syazwani Itri¹

Affiliation:

1. Department of Biosciences, Universiti Teknologi Malaysia, Johor Bahru, Malaysia

2. Faculty of Medicine, King Fahad Medical City, Riyadh, Kingdom of Saudi Arabia

3. Department of Biochemistry, Science College, King Saud University, Riyadh, Kingdom of Saudi Arabia

4. Department of Chemistry, Universiti Teknologi Malaysia, Johor Bahru, Malaysia

5. Central Laboratory, Center Female Center for Scientific and Medical Studies, King Saud University, Riyadh, Kingdom of Saudi Arabia

Funder

Fundamental Research

Malaysia Ministry of High Education awarded to SIA

Intramural Research Fund

Ministry of Health

Universiti Teknologi Malaysia

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2023.2274871

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4. Screening of in vitro and in silico effect of Fluorophenylthiourea compounds on glucose 6‐phosphate dehydrogenase and 6‐phosphogluconate dehydrogenase enzymes

5. Designing angle-independent structural colors using Monte Carlo simulations of multiple scattering