Dataset III related to the publication: In silico Evaluation of the Thr58-associated Conserved Water with KRAS Switch-II Pocket Binders
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Desmond trajectories of simulations conducted with TIP4P 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.7341954
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Zenodo创建时间：
2022-11-21
