# An artificial intelligence accelerated virtual screening platform for drug discovery

*PRI Rank #8 · Topics and Trends in Most Cited Computational Drug Discovery Methods Papers, Class of 2026*

*Canonical URL: https://pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026/rank-8*

| Field | Value |
| --- | --- |
| Rank | #8 |
| 18m citations | 155 |
| Journal | Nature Communications |
| Year | 2024 |
| DOI | 10.1038/s41467-024-52061-7 |
| Corresponding authors | Ning Zheng, Frank DiMaio |
| Institution | University of Washington, United States |

**Ranking page:** [Topics and Trends in Most Cited Computational Drug Discovery Methods Papers, Class of 2026](https://pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026)

**Paper link:** [10.1038/s41467-024-52061-7](https://doi.org/10.1038/s41467-024-52061-7)

## Topics

RosettaVS · Virtual screening · Molecular docking · Binding affinity prediction · Receptor flexibility · Compound libraries · KLHDC2 · ubiquitin ligase · Nav1.7 · Nav1.7 · Molecular docking · Artificial intelligence in drug discovery · micromolar binding affinities · X-ray crystallography · Hit identification · lead discovery · Open-source framework

## Cite this ranking

```
Pepkio Research Index (PRI). Topics and Trends in Most Cited Computational Drug Discovery Methods Papers, Class of 2026. https://pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026. Accessed 2026-07-22.

Zheng Su, Tinsley Li, Thematic Shifts in Early-High-Impact Cancer Genomics and Diagnostics Research: A Bibliometric and Semantic Analysis. bioRxiv 2026.07.04.736459; doi: https://doi.org/10.64898/2026.07.04.736459
```