Articles with "reactive charmm" as a keyword



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Modeling the effect of ion‐induced shock waves and DNA breakage with the reactive CHARMM force field

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Published in 2020 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26399

Abstract: Ion‐induced DNA damage is an important effect underlying ion beam cancer therapy. This article introduces the methodology of modeling DNA damage induced by a shock wave caused by a projectile ion. Specifically it is demonstrated… read more here.

Keywords: force field; induced shock; ion; reactive charmm ... See more keywords