Dataset I related to publication: Beyond KRAS(G12C): biochemical and computational characterization of sotorasib and adagrasib binding specificity and the critical role of H95 and Y96
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下载链接：
https://zenodo.org/record/10812232
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资源简介：
MD simulation data (sotorasib and adagrasib in complex with NRAS(WT) and KRAS(WT)) related to publication: "Beyond KRAS(G12C): biochemical and computational characterization of sotorasib and adagrasib binding specificity and the critical role of H95 and Y96".
ACS Chem. Biol. 2024, XXXX, XXX, XXX-XXX
https://pubs.acs.org/doi/10.1021/acschembio.4c00315
The .zip files contain raw Desmond simulation trajectories of KRAS(WT) or NRAS(WT) in complex with adagrasib or sotorasib [5 replicas; each 5 us]
(-out.cms files and trajectories).
Related datasets: 10.5281/zenodo.10781452
创建时间：
2024-09-17
