Forging the missing link in free energy estimations: λ-WHAM in thermodynamic integration, overlap histogramming, and free energy perturbation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference35 articles.
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3. Extended Thermodynamic Integration: Efficient Prediction of Lambda Derivatives at Nonsimulated Points;Journal of Chemical Theory and Computation;2016-08-22
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