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Félix Aviat
Publication Activity (10 Years)
Years Active: 2021-2022
Publications (10 Years): 2
Top Topics
Alternative Approaches
Pairwise
Monte Carlo
Range Images
Top Venues
J. Comput. Aided Mol. Des.
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Publications
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Phillip S. Hudson
,
Félix Aviat
,
Rubén Meana-Pañeda
,
Luke C. Warrensford
,
Benjamin C. Pollard
,
Samarjeet Prasad
,
Michael R. Jones
,
H. Lee Woodcock III
,
Bernard R. Brooks
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches.
J. Comput. Aided Mol. Des.
36 (4) (2022)
Mahdi Ghorbani
,
Phillip S. Hudson
,
Michael R. Jones
,
Félix Aviat
,
Rubén Meana-Pañeda
,
Jeffery B. Klauda
,
Bernard R. Brooks
A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge.
J. Comput. Aided Mol. Des.
35 (5) (2021)