Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions-Reference-Cited by-同舟云学术

Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions

Author:

Wan Shunzhou¹^ORCID,Bhati Agastya P.¹,Coveney Peter V.¹²³^ORCID

Affiliation:

1. Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AJ, U.K.

2. Advanced Research Computing Centre, University College London, London WC1H 0AJ, U.K.

3. Computational Science Laboratory, Institute for Informatics, Faculty of Science, University of Amsterdam, Amsterdam 1012 WP, Netherlands

Funder

Engineering and Physical Sciences Research Council

Medical Research Council

H2020 Future and Emerging Technologies

H2020 Research Infrastructures

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference49 articles.

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