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Molecular dynamics simulations of proteins: an in-depth review of computational strategies, structural insights, and their role in medicinal chemistry and drug development

Crossref DOI link: https://doi.org/10.1007/s00422-025-01026-0

Published Online: 2025-09-26

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Farhadi, Bita

Beygisangchin, Mahnoush

Ghamari, Nakisa

Jakmunee, Jaroon

Tang, Tang
Funding

Funding for this research was provided by:

Chiang Mai University and Center of Excellence for Innovation in Chemistry. Partially supported by CMU Proactive Researcher Scheme (2024), Chiang Mai University (Fundamental Fund 2025)

Chiang Mai University and Center of Excellence for Innovation in Chemistry. Partially supported by CMU Proactive Researcher Scheme (2024), Chiang Mai University (Fundamental Fund 2025)
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Text and Data Mining valid from 2025-09-26

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Article History

Received: 20 July 2025

Accepted: 15 September 2025

First Online: 26 September 2025

Declarations

:

: The authors declare no competing interests.

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