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Article

Molecular Modeling of the Pathogenetic Mechanisms of Neuropsychiatric Disorders.

International journal of molecular sciences - 16 Apr 2026

Abdurazakov Amal, Abashkin Dmitrii A, Semina Ekaterina V, Chaika Yulia A, Golimbet Vera E

Abstract excerpt

Neuropsychiatric diseases are characterized by complex molecular underpinnings that remain challenging to fully elucidate. Molecular dynamics (MD) simulations have emerged as a powerful computational tool, providing a crucial bridge between static genetic data and the dynamic functional consequences of molecular alterations. This review offers a comprehensive overview of the application of MD simulations in...

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Identifiers

PMID: 42074202
DOI: 10.3390/ijms27083563
PMCID: PMC13116660

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