An Explicit Consideration of Desolvation is Critical to Binding Free Energy Calculations of Charged Molecules at Ionic Surfaces

Title
An Explicit Consideration of Desolvation is Critical to Binding Free Energy Calculations of Charged Molecules at Ionic Surfaces
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 11, Pages 5059-5069
Publisher
American Chemical Society (ACS)
Online
2013-10-04
DOI
10.1021/ct400487e

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