"Net charge changes in the calculation of relative ligand-binding free ..."

Maria M. Reif, Chris Oostenbrink (2014)

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DOI: 10.1002/JCC.23490

access: open

type: Journal Article

metadata version: 2020-04-01

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Maria M. Reif, Chris Oostenbrink:
Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation. J. Comput. Chem. 35(3): 227-243 (2014)

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