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Modeling Cisplatin Hydrolysis with a Quantum Nanoreactor | QuantistryLab Reaction Discovery
Modeling Cisplatin Hydrolysis with a Quantum Nanoreactor | QuantistryLab Reaction Discovery
June 20, 2024
Understanding chemical reactions is crucial across industries, from drug development to battery research. The quantum nanoreactor in QuantistryLab enables researchers to simulate these processes, providing deep insights into reaction mechanisms through metadynamics simulations and chemical reaction modeling.
In this use case, QuantistryLab simulations were used to investigate cisplatin hydrolysis, the key process behind cisplatin activation. This reaction occurs when water molecules replace chlorine atoms, allowing the anticancer drug to interact with DNA and disrupt cell division. By leveraging quantum nanoreactor simulations, users can explore reaction pathways, stability, and degradation processes in complex molecular systems—insights relevant to industries ranging from pharma and polymers to battery R&D.
How can quantum nanoreactor simulations transform chemistry and materials development?
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