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Maximiliano Riquelme
Publication Activity (10 Years)
Years Active: 2018-2020
Publications (10 Years): 3
Top Topics
Higher Order
Free Energy
Generalized Belief Propagation
Approximate Inference
Top Venues
J. Comput. Chem.
J. Chem. Inf. Model.
J. Comput. Aided Mol. Des.
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Publications
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Maximiliano Riquelme
,
Esteban Vöhringer-Martinez
SAMPL6 Octanol-water partition coefficients from alchemical free energy calculations with MBIS atomic charges.
J. Comput. Aided Mol. Des.
34 (4) (2020)
Alejandro Lara
,
Maximiliano Riquelme
,
Esteban Vöhringer-Martinez
Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.
J. Comput. Chem.
39 (22) (2018)
Maximiliano Riquelme
,
Alejandro Lara
,
David L. Mobley
,
Toon Verstraelen
,
Adelio R. Matamala
,
Esteban Vöhringer-Martinez
Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges.
J. Chem. Inf. Model.
58 (9) (2018)