Concepedia

Spectroscopic analysis by NMR, FT-Raman, ATR-FTIR, and UV-Vis, evaluation of antimicrobial activity, and in silico studies of chalcones derived from 2-hydroxyacetophenone

Jayze da Cunha Xavier, Francisco Wagner Queiroz Almeida-Neto, Janaína Esmeraldo Rocha, Thiago Sampaio de Freitas, Priscila Ramos Freitas, Ana Carolina Justino de Araújo, Priscila T. da Silva, C.E.S. Nogueira, Paulo Nogueira Bandeira, Márcia Machado Marinho,

Journal of Molecular Structure · 2021 · 40 citations · 43 references

DOI

Concepts

References

43

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 · 37.1K citations · Full text

, , +17

SWISS-MODEL: homology modelling of protein structures and complexes

Andrew Waterhouse, Martino Bertoni, Stefan Bienert et al. · Nucleic Acids Research · 2018 · 13.6K citations · Full text

, , +15

<b>Hard and Soft Acids and Bases</b>

Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations

, , +5

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng et al. · Journal of Medicinal Chemistry · 2002 · 8.1K citations

, , +15

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

, , +6