Carlos Castillo-Orellana
4PUBLICATIONS
10CO-AUTHORS
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Publications (4)
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|Feb 14, 2025
Nonbonded Force Field Parameters Derived from Atoms-in-Molecules Methods Reproduce Interactions in Proteins from First-Principles.Carlos Castillo-Orellana, Farnaz Heidar-Zadeh, Esteban Vöhringer-Martinez
|Nov 08, 2024
Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method.Farnaz Heidar-Zadeh, Carlos Castillo-Orellana, Maximilian van Zyl
|Aug 12, 2022
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions.Duván González, Luis Macaya, Carlos Castillo-Orellana
|Jan 20, 2021
Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.Naoki Horikoshi, Sunhee Hwang, Cornelius Gati
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Frequent Collaborators
3 joint publications
Esteban Vöhringer-Martinez
2 joint publications
Toon Verstraelen
2 joint publications
Farnaz Heidar-Zadeh
1 joint publications
Naoki Horikoshi
1 joint publications
Alexander Batyuk
1 joint publications
Xinyu Xiang
1 joint publications
Andrew Chiang
1 joint publications
Daria Mochly-Rosen
1 joint publications
Soichi Wakatsuki
1 joint publications
Paul W Ayers
