Dataset I related to publication: Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations

Name: Dataset I related to publication: Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations
Creator: Zenodo
Published: 2025-07-12 18:41:28
License: 暂无描述

Zenodo2025-07-12 更新2026-05-26 收录

下载链接：

https://zenodo.org/doi/10.5281/zenodo.8332412

下载链接

链接失效反馈

官方服务：

资源简介：

Dataset related to publication: Leini, R., Kapp, J., Kopra, K. et al. Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations. Sci Rep 15, 24843 (2025). https://doi.org/10.1038/s41598-025-07532-2 .zip-files contain the raw Desmond trajectories of individual replica simulations of GDC-6036. WaterMap-output file for the representative conformation of GDC-6036.

提供机构：

Zenodo

创建时间：

2023-09-11