Synthesis, single crystal, TD-DFT, molecular dynamics simulation and DNA binding studies of carbothioamide analog
Manish Rana, Saiema Ahmedi, Aysha Fatima, Shaban Ahmad, Nouman, Nazia Siddiqui, Khalid Raza, Nikhat Manzoor, Saleem Javed, R. Rahisuddin
Topics & Concepts
ChemistryCrystallographyMoleculeDocking (animal)Molecular dynamicsProton NMRBond lengthLigand (biochemistry)StereochemistryCrystal structureComputational chemistryOrganic chemistryReceptorNursingMedicineBiochemistrySynthesis and biological activityCrystal structures of chemical compoundsMetal complexes synthesis and properties