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Additionally, the specific combination of temozolomide with Aurora kinase inhibitors provides new therapeutic strategies for liver cancer, while the specific combination of navitoclax with psychiatric drugs (such as pentobarbital) offers new hope for colon cancer patients ( 3.4 Application of molecular dynamics simulation in cancer drug target development Based on the earlier technical methods, MD simulation allows researchers to identify potential drug binding sites, analyze conformational changes of drug molecules, and assess the stability and activity of molecules under specific conditions, which is crucial for optimizing drug design (Trezza et al., 2025)
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