Dataset III related to the publication: In silico Evaluation of the Thr58-associated Conserved Water with KRAS Switch-II Pocket Binders

<p>Desmond trajectories of simulations conducted with TIP4P water model related to the publication:</p> <p>Leini R, Pantsar T: In Silico Evaluation of the Thr58-Associated Conserved Water with 2 KRAS Switch-II Pocket Binders. J. Chem. Inf. Model.&nbsp;[accepted]&nbsp;https://doi.org/10.1021/acs.jcim.2c01479</p> <ul> <li>Individual .zip files contain the Desmond trajectories and -out.cms -files.</li> </ul> <p>Related datasets:&nbsp;10.5281/zenodo.7656467 and&nbsp;10.5281/zenodo.7341954</p>