"An Alternative to Conventional λ-Intermediate States in Alchemical ..."

Gerhard König et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00520

access: closed

type: Journal Article

metadata version: 2025-01-08

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  - https://dblp.org/rec/journals/jcisd/KonigGSKHR20
Gerhard König, Nina Glaser, Benjamin Schroeder, Alzbeta Kubincová, Philippe H. Hünenberger, Sereina Riniker:
An Alternative to Conventional λ-Intermediate States in Alchemical Free Energy Calculations: λ-Enveloping Distribution Sampling. J. Chem. Inf. Model. 60(11): 5407-5423 (2020)

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