Computational Chemistry and Molecular Modeling

The "Computational Chemistry and Molecular Modeling" track at PHARMACEUTICAL CHEMISTRY 2025 will delve into the application of computational techniques and molecular simulations to advance drug discovery and development. Researchers submitting abstracts for this track will present their work on utilizing computational tools to predict molecular behavior, optimize drug candidates, and understand complex biological interactions.

Attendees can anticipate engaging discussions on the latest developments in molecular modeling software, including quantum chemistry calculations, molecular dynamics simulations, and docking studies. The track will highlight how these computational methods are employed to elucidate drug-receptor interactions, predict pharmacokinetic properties, and streamline the drug design process.

The presentations will showcase innovative applications of computational chemistry in virtual screening, structure-based drug design, and the analysis of large biological datasets. This track offers participants an opportunity to explore how computational approaches can accelerate drug development, enhance accuracy in molecular predictions, and facilitate the design of novel therapeutic agents. By attending, participants will gain insights into state-of-the-art computational methods and their practical impact on pharmaceutical research and development.

 

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