Overcoming Orthogonal Barriers in Alchemical Free Energy Calculations: On the Relative Merits of λ-Variations, λ-Extrapolations, and Biasing
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Date
2020-03-10Type
- Journal Article
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publishedExternal links
Journal / series
Journal of Chemical Theory and ComputationVolume
Pages / Article No.
Publisher
American Chemical SocietyOrganisational unit
08820 - Hünenberger, Philippe (Tit.-Prof.)
Funding
175944 - A Combinatorial Computational Chemistry Approach to Force-Field Development (SNF)
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Citations
Cited null times in
Web of Science
Cited 6 times in
Scopus
ETH Bibliography
yes
Altmetrics