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Structural Chemistry|August 16, 2022
Investigation of [3H]diazepam derivatives as allosteric modulators of GABAA receptor α1β2γ2 subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysisRachida Djebaili, Samir Kenouche, Ismail Daoud, et al.Structural Chemistry|August 15, 2022
Molecular dynamic simulation suggests stronger interaction of Omicron-spike with ACE2 than wild but weaker than Delta SARS-CoV-2 can be blocked by engineered S1-RBD fractionDipannita Santra, Smarajit MaitiStructural Chemistry|February 13, 2023
The Nobel prize in physiology and medicine - 2022Krisztina HagymásiStructural Chemistry|June 26, 2023
A dispersion-corrected DFT calculation on encapsulation of favipiravir drug used as antiviral against COVID-19 into carbon-, boron-, and aluminum-nitride nanotubes for optimal drug delivery systems combined with molecular docking simulationsRoqaya Albarakati, Ohoud Al-Qurashi, Zaki Safi, et al.Structural Chemistry|June 26, 2023
Are we ready to fight the Nipah virus pandemic? An overview of drug targets, current medications, and potential leadsSiyun Yang, Supratik KarStructural Chemistry|July 28, 2026
On the transferability of pure electron correlation of quantum topologically defined molecular fragments at the CCSD(T) levelMark A Vincent, Paul L A PopelierPageof 8