Researcher
Hannah Bruce Macdonald
Memorial Sloan Kettering Cancer Center
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5 papers found
All papers authored by Hannah Bruce Macdonald
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2022
Yuanqing Wang 
,
Josh Fass ,
Benjamin Kaminow ,
John E. Herr ,
Dominic Rufa ,
Ivy Zhang ,
Iván Pulido ,
Mike Henry ,
Hannah E. Bruce Macdonald ,
Kenichiro Takaba ,
John D. Chodera
,
Josh Fass ,
Benjamin Kaminow ,
John E. Herr ,
Dominic Rufa ,
Ivy Zhang ,
Iván Pulido ,
Mike Henry ,
Hannah E. Bruce Macdonald ,
Kenichiro Takaba ,
John D. Chodera
End-to-end differentiable construction of molecular mechanics force fields
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2020
Marley Luke Samways ,
Hannah E. Bruce Macdonald ,
Jonathan W. Essex
,
Hannah E. Bruce Macdonald ,
Jonathan W. Essex
grand: A Python Module for Grand Canonical Water Sampling in OpenMM
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2019
Antonia S. J. S. Mey ,
Bryce K. Allen ,
Hannah E. Bruce Macdonald ,
John D. Chodera ,
David F. Hahn ,
Maximilian Kuhn ,
Julien Michel ,
David L. Mobley ,
Levi N. Naden ,
Samarjeet Prasad ,
Andrea Rizzi ,
Jenke Scheen ,
Michael R. Shirts ,
Gary Tresadern ,
Huafeng Xu
,
Bryce K. Allen ,
Hannah E. Bruce Macdonald ,
John D. Chodera ,
David F. Hahn ,
Maximilian Kuhn ,
Julien Michel ,
David L. Mobley ,
Levi N. Naden ,
Samarjeet Prasad ,
Andrea Rizzi ,
Jenke Scheen ,
Michael R. Shirts ,
Gary Tresadern ,
Huafeng Xu
Best Practices for Alchemical Free Energy Calculations [Article v1.0]
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2017
Torsten T. Jensen ,
Jason Potticary ,
Lui R. Terry,
Hannah E. Bruce Macdonald ,
Jan Gerit Brandenburg ,
Simon R. Hall
,
Jason Potticary ,
Lui R. Terry,
Hannah E. Bruce Macdonald ,
Jan Gerit Brandenburg ,
Simon R. Hall
Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth
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