"Correcting electrostatic artifacts due to net-charge changes in the ..."

Christoph Öhlknecht et al. (2020)

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DOI: 10.1002/JCC.26143

access: open

type: Journal Article

metadata version: 2021-05-14

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  - journals/jcc/OhlknechtLPFO20
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  - https://dblp.org/rec/journals/jcc/OhlknechtLPFO20
Christoph Öhlknecht, Bettina Lier, Drazen Petrov, Julian Fuchs, Chris Oostenbrink:
Correcting electrostatic artifacts due to net-charge changes in the calculation of ligand binding free energies. J. Comput. Chem. 41(10): 986-999 (2020)

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