Adding alchemical variables to metadynamics to enhance sampling in free energy calculations

MLA

Hsu, Wei-Tse, et al. Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations. 2022. EBSCOhost, https://doi.org/10.1021/acs.jctc.2c01258.

APA

Hsu, W.-T., Piomponi, V., Merz, P. T., Bussi, G., & Shirts, M. R. (2022). Adding alchemical variables to metadynamics to enhance sampling in free energy calculations. https://doi.org/10.1021/acs.jctc.2c01258

Chicago

Hsu, Wei-Tse, Valerio Piomponi, Pascal T. Merz, Giovanni Bussi, and Michael R. Shirts. 2022. “Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations.” doi:10.1021/acs.jctc.2c01258.