Dataset II related to the publication: In silico Evaluation of the Thr58-associated Conserved Water with KRAS Switch-II Pocket Binders
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下载链接：
https://zenodo.org/record/7341953
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资源简介：
Desmond trajectories of simulations conducted with TIP3P water model related to the publication:
Leini R, Pantsar T: In Silico Evaluation of the Thr58-Associated Conserved Water with 2 KRAS Switch-II Pocket Binders. J. Chem. Inf. Model. [accepted] https://doi.org/10.1021/acs.jcim.2c01479
Individual .zip files contain the Desmond trajectories and -out.cms -files.
Related datasets: 10.5281/zenodo.7656467 and 10.5281/zenodo.7342311
创建时间：
2023-02-28
