Computational Methods in Drug Development: From Molecular Modeling to Artificial Intelligence Technologies

Yunjie Zhao · 2026

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Description

s their complexes; identify new drug targets; and optimize drug–receptor interactions. Computational approaches are effective alternatives because experimental methods for determining molecular structures can be expensive and time-consuming. They also enhance our collective understanding of complex biological systems, enable high-throughput screening of large chemical libraries, and help to reduce time and costs compared to traditional methods.

Catalog record

CREATORYunjie Zhao
YEAR2026
COLLECTIONPAPERS
FORMATTXT
FILE SIZE9 KB
VERSION1.0
LICENSECC BY 4.0
RIGHTSCC BY
SOURCEEurope PMC

Source: https://europepmc.org/articles/PMC13516405

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