Optimal pairwise and non-pairwise alchemical pathways for free energy calculations of molecular transformation in solution phase
Year: 2012
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.3697833
Authors: Tri T. Pham, Michael R. Shirts
Institution: University of Virginia
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: closed
OpenAlex ID: W2018736104