Concepedia

Interaction energies between two antiandrogenic and one androgenic agonist receptor in the presence of a T877A mutation in prostate cancer: a quantum chemistry analysis

Katyanna Sales Bezerra, J. F. Vianna, José Xavier Neto, Jonas Ivan Nobre Oliveira, E.L. Albuquerque, Umberto L. Fulco

New Journal of Chemistry · 2020 · 28 citations · 39 references

DOI

Concepts

Abstract

We provide a detailed picture of the interactions between the androgen receptor T877A mutation and three different compounds used in the treatment of prostate cancer.

References

39

Global cancer statistics 2018: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries

Freddie Bray, Jacques Ferlay, Isabelle Soerjomataram et al. · CA A Cancer Journal for Clinicians · 2018 · 87.7K citations · Full text

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

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Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of p<i>K</i><sub>a</sub> Values

Chresten R. Søndergaard, Mats H. M. Olsson, Michał Rostkowski et al. · Journal of Chemical Theory and Computation · 2011 · 2K citations · Full text

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Multiple Dirac cones at the surface of the topological metal LaBi

Jayita Nayak, Shu-Chun Wu, Nitesh Kumar et al. · Nature Communications · 2017 · 1.2K citations · Full text

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