TY  - GEN
AU  - Flores-Holguin, Norma
AU  - Frau, Juan
AU  - Glossman-Mitnik, Daniel
PY  - 2019
DO  - 10.3390/computation7030052
UR  - https://hdl.handle.net/20.500.12105/22753
AB  - A methodology based on concepts that arose from Density Functional Theory (CDFT) was chosen for the calculation of global and local reactivity descriptors of the Seragamide family of marine anticancer peptides. Determination of active sites for the...
LA  - eng
PB  - Multidisciplinary Digital Publishing Institute (MDPI)
KW  - Seragamides
KW  - Chemical-reactivity theory
KW  - Conceptual DFT
KW  - Global and local reactivity descriptors
KW  - pKa
KW  - AGE-inhibition abilities
KW  - Bioavailability
KW  - Bioactivity scores
TI  - Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A-F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint
TY  - research article
ER  -