scholarly journals Correction to: A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

2021 ◽  
Author(s):  
Davut Avcı ◽  
Sümeyye Altürk ◽  
Fatih Sönmez ◽  
Ömer Tamer ◽  
Adil Başoğlu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dft Calculations ◽  
Mixed Ligand ◽  
Glucosidase Inhibitor

Structure-based rational design, synthesis, crystal structure, DFT and molecular docking of 1,4-benzene dicarboxamide isomers with application as hardeners

2019 ◽  
Vol 43 (21) ◽  
pp. 7972-7983
Author(s):  
Meenu Teotia ◽  
Nazia Tarannum ◽  
Mohit Chauhan ◽  
Rakesh Kumar Soni
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dft Calculations ◽  
Epoxy Resins ◽  
Rational Design ◽  
Antimicrobial Properties ◽  
Molecular Structures ◽  
Design Synthesis ◽  
Curing Agents

Molecular structures of two isomers have been investigated by SXRD analysis and DFT calculations and the isomers are assessed for their antimicrobial properties and as curing agents for epoxy resins.

Synthesis, crystal structure, DFT calculations and molecular docking of l-pyroglutamic acid

2019 ◽  
Vol 1178 ◽  
pp. 436-449 ◽  
Author(s):  
Takoua Ben Issa ◽  
Fayçal Sayari ◽  
Houcine Ghalla ◽  
Latifa Benhamada
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dft Calculations ◽  
Pyroglutamic Acid
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