Cresset (United Kingdom)

most citedBest Practices for Alchemical Free Energy Calculations

289 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

A. Mey1 · h 21
A. Rizzi1 · h 20
Bryce K. Allen1 · h 13
David F. Hahn1 · h 14
D. Mobley1 · h 57
G. Tresadern1 · h 37
H. B. Macdonald1 · h 4
Huafeng Xu1 · h 26
J. Chodera1 · h 64
Jenke Scheen1 · h 7
J. Michel1 · h 33
Levi N. Naden1 · h 7

collaborating institutions

Janssen (Belgium)BE1 paper
Kettering UniversityUS1 paper
Memorial Sloan Kettering Cancer CenterUS1 paper
Molecular Sciences Software InstituteUS1 paper
National Institutes of HealthUS1 paper
Silicon Therapeutics (United States)US1 paper
Tri-Institutional PhD Program in Chemical BiologyUS1 paper
University of California, IrvineUS1 paper
University of Colorado BoulderUS1 paper

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q-bio.BM2020★ 289 cited

Best Practices for Alchemical Free Energy Calculations

Antonia S. J. S. Mey, Bryce Allen, Hannah E. Bruce Macdonald +11

Alchemical free energy calculations are a useful tool for predicting free energy differences associated with the transfer of molecules from one environment to another. The hallmark…