Luis Macaya

According to our database1, Luis Macaya authored at least 4 papers between 2021 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

On csauthors.net:

Bibliography

2024
Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular Electron Density Improve Binding Affinity Predictions of the T4-Lysozyme Double Mutant.
J. Chem. Inf. Model., 2024

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


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