XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
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Poster - 21 Quantum: Quantum crystallography
Time: 17/Aug/2021: 4:40pm-5:40pm
Bursary application
Oral/poster
MS: Quantum crystallography research, Quantum crystallographic studies on intra/inter-molecular interactions
Keywords: Hirshfeld surface; DNA-interaction; lipophilicity; antitumor activity
Intermolecular interaction analysis from SCXRD and their relationship with observed properties in potential pharmaceuticals
1Facultad de Química, Universidad de la República, Montevideo, Uruguay; 2Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, SP, Brazil; 3Instituto de Física de São Carlos, Universidade de São Paulo, SP, Brazil
[1] Serment-Guerrero, J., et al. (2011). Toxicology In Vitro, 25(7), 1376-1384.
[2] Gandin, V., et al. (2017). Scientific Reports, 7(1), 13936.
[3] Alvarez, N., et al. (2014). Inorganica Chimica Acta, 466, 559-564.
[4] Alvarez, N., et al. (2020). Journal of Inorganic Biochemistry, 203, 110930.
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