Concepedia

Design, synthesis, and fungicidal evaluation of novel oxysterol binding protein inhibitors for combatting resistance associated with oxathiapiprolin

Jianlong Li, Liming Zhou, Mengqi Gao, Zhongqiao Huang, Xili Liu, Xiao‐Lei Zhu, Guang‐Fu Yang

Pesticide Biochemistry and Physiology · 2020 · 21 citations · 35 references

Concepts

PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsDrug-receptor InteractionsEnzyme InhibitionLigand BindingProtein BindingProtein-ligand BindingStructure-activity Relationship AnalysisFungicidal BioassaysInhibitor Design For Resistance EnzymesProtein-protein Interaction Inhibitor Discovery

References

35

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

Natural Sciences, Chemistry, Physics +13

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

Natural Sciences, Chemistry, Physics +11

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

Life Sciences, Biochemistry, Bioinformatics +15

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

Life Sciences, Bioinformatics, Molecular Biology +17

Analytical molecular surface calculation

Michael L. Connolly · Journal of Applied Crystallography · 1983 · 2.5K citations

Natural Sciences, Biophysics, Chemistry +17