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DFT
Pharma / Biotech
December 13, 2022
145
Green and Regioselective Approach for the Synthesis of 3-Substituted Indole Based 1,2-Dihydropyridine and Azaxanthone Derivatives as a Potential Lead for SARS-CoV-2 and Delta Plus Mutant Virus: DFT and Docking Studies
Pharma / Biotech
December 13, 2022
153
Green and Regioselective Approach for the Synthesis of 3-Substituted Indole Based 1,2-Dihydropyridine and Azaxanthone Derivatives as a Potential Lead for SARS-CoV-2 and Delta Plus Mutant Virus: DFT and Docking Studies
Pharma / Biotech
November 30, 2022
142
Computer-aided analysis for identification of novel analogues of ketoprofen based on molecular docking, ADMET, drug-likeness and DFT studies for the treatment of inflammation
Latest News
September 8, 2022
147
Large-Scale DFT Methods for Calculations of Materials with Complex Structures
Latest News
August 11, 2022
130
Large-scale local-orbital DFT calculations of Si – Ge core – shell nanowires
Latest News
December 25, 2018
143
High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: the case of graphene–metal interfaces
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