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"QligFEP: an automated workflow for small molecule free energy calculations ..."

Willem Jespers et al. (2019)

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DOI: 10.1186/S13321-019-0348-5

access: open

type: Journal Article

metadata version: 2019-06-03

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  dblp key:
  - journals/jcheminf/JespersEAG19
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  - https://dblp.org/rec/journals/jcheminf/JespersEAG19
Willem Jespers, Mauricio Esguerra, Johan Åqvist, Hugo Gutiérrez-de-Terán:
QligFEP: an automated workflow for small molecule free energy calculations in Q. J. Cheminformatics 11(1): 26:1-26:16 (2019)

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