Concepedia

Evaluation of estrogenic activity of red clover (Trifolium pratense L.) sprouts cultivated under different conditions by content of isoflavones, calorimetric study and molecular modelling

Grażyna Budryn, Ilona Gałązka‐Czarnecka, Ewelina Brzozowska, Joanna Grzelczyk, Radosław Mostowski, Dorota Żyżelewicz, José P. Cerón‐Carrasco, Horacio Pérez‐Sánchez

Food Chemistry · 2017 · 43 citations · 25 references

DOI

Concepts

References

25

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations

, , +14

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 35.1K citations · Full text

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 5.8K citations

, , +13

An approach to computing electrostatic charges for molecules

U. Chandra Singh, Peter A. Kollman · Journal of Computational Chemistry · 1984 · 3.4K citations

, , +18