Citation & References¶

If you use BayesMBAR in your research, please cite the BayesMBAR papers:

• Ding, X. Bayesian Multistate Bennett Acceptance Ratio Methods. J. Chem. Theory Comput. https://doi.org/10.1021/acs.jctc.3c01212
• Coupled Bayesian Multistate Bennett Acceptance Ratio (CBayesMBAR). J. Chem. Theory Comput. https://doi.org/10.1021/acs.jctc.4c00948

References¶

• Shirts, M. R.; Chodera, J. D. Statistically Optimal Analysis of Samples from Multiple Equilibrium States. J. Chem. Phys. https://doi.org/10.1063/1.2978177
• Geyer, C. J. Estimating Normalizing Constants and Reweighting Mixtures; Report; 1994.
• Kumar, S.; Rosenberg, J. M.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A. The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. I. The Method. J. Comput. Chem. 1992, 13, 1011–1021. https://doi.org/10.1002/jcc.540130812