Dataset II 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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https://zenodo.org/record/10781451
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资源简介：
MD simulation data (KRAS(G12C) and KRAS(G12C/Y96D)) 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(G12C) and KRAS(G12C/Y96D) with apo SII-P or in complex with sotorasib [5 replicas; each 4 us]
(-out.cms files and trajectories).
Related datasets: 10.5281/zenodo.10812233
创建时间：
2024-09-17
