Journal article Open Access

Unbiased Molecular Dynamics of 11 min Timescale Drug Unbinding Reveals Transition State Stabilizing Interactions

Lotz, Samuel; Dickson, Alex

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Publication date:
October 30, 2017
DOI:
10.5281/zenodo.1021565

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10.5281/zenodo.1021565

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Keyword(s):
molecular-dynamics ligand-unbinding weighted-ensemble WExplore drug-design long-timescale-molecular-processes
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Journal of the American Chemcial Society:.
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