2024
DOI: 10.1002/slct.202302471
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Recent Advancements and Developments of Molecular Dynamics Simulations in the Discovery of Anti‐protozoal Agents

Tejas M. Dhameliya,
Drashtiben D. Vekariya,
Vaidehi N. Vaddoriya
et al.

Abstract: Molecular dynamics simulations have been developed as the most powerful tool in the field of computational chemistry for the discovery of novel anti‐protozoal agents against malaria. In this review, the recent advancements and developments in the field of molecular dynamics simulations driven identification and optimization of promising anti‐protozoal agents have been highlighted along with the use of advanced simulation softwares, energy calculations, stability parameters, and many more. To the best of our kn… Show more

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