Graph convolutional neural networks improved target-specific scoring functions for cGAS and kRAS in virtual screening
In the drug discovery process, traditional structure-based virtual screening methods, such as molecular docking, are often limited by empirical scoring functions. Recent studies have demonstrated that target-specific scoring functions developed using machine learning approaches can enhance the accur...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-01-01
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| Series: | Computational and Structural Biotechnology Journal |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2001037025001886 |
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