Charge-neutral constant pH molecular dynamics simulations...

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Journal of Chemical Theory and Computation 2016 / 02

Charge-neutral constant pH molecular dynamics simulations using a parsimonious proton buffer

Donnini, Serena, Ullmann, R. Thomas, Groenhof, Gerrit, Grubmüller, Helmut
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b01160
Date:
February, 2016
File:
PDF, 585 KB
english, 2016
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