Additional file 1: Supplementary File 1. Parameters for Molecular Docking. The number of Points in Dimension, Spacing (Angstrom) and Center Grid Box values that were taken during the molecular docking

Figshare2024-02-14 更新20

Norfloxacin derivatives as DNA gyrase and urease inhibitors: synthesis, biological evaluation and molecular docking

抗菌药物研发

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Table S1. Antibacterial activity of compounds 3a-j with MIC against Bacillus pumilus , Staphylococcus aureus , Pseudomonas aeruginosa , and Escherichia

DataCite Commons2024-05-16 更新20

The model oligosaccharide interaction energy and binding affinity with MBL- AJ .

分子对接

蛋白质-配体相互作用

*- The molecular mechanics generalized Born interaction energy is the non-bonded interaction energy between the receptor and the ligand and comprises van der Waals, Coulomb and generalized Born implic

NIAID Data Ecosystem30

Additional file 5: Table S3. of Identification of internalin-A-like virulent proteins in Leishmania donovani

病原体-宿主相互作用

分子对接

Docking results for L. donovani Inl-A-like proteins with human E-cadherin (hEC1). (XLS 24 kb)

NIAID Data Ecosystem20