Concepedia

Novel ciprofloxacin and norfloxacin-tetrazole hybrids as potential antibacterial and antiviral agents: Targeting S. aureus topoisomerase and SARS-CoV-2-MPro

Jaime Cardoso‐Ortiz, Socorro Leyva‐Ramos, Kim M. Baines, César F. A. Gómez‐Durán, Hiram Hernández‐López, Francisco José Palacios‐Can, José Antonio Valcarcel-Gamiño, Mario Alberto Leyva‐Peralta, Rodrigo Said Razo‐Hernández

Journal of Molecular Structure · 2022 · 23 citations · 49 references

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References

49

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 29.2K citations · Full text

, , +16

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

Thomas A. Halgren · Journal of Computational Chemistry · 1996 · 5.2K citations

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Zhenming Jin, Xiaoyu Du, Yechun Xu et al. · Nature · 2020 · 4.4K citations · Full text

, , +5

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

James J. P. Stewart · Journal of Molecular Modeling · 2007 · 3.6K citations · Full text

MolDock:  A New Technique for High-Accuracy Molecular Docking

René Thomsen, Mikael H. Christensen · Journal of Medicinal Chemistry · 2006 · 2.3K citations

, , +12