Luis Macaya
According to our database1,
Luis Macaya
authored at least 3 papers
between 2021 and 2022.
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Bibliography
2022
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions.
J. Chem. Inf. Model., 2022
2021
Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest Systems.
J. Chem. Inf. Model., 2021
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.
J. Comput. Chem., 2021