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  • Publication
  • Nov 5, 2023
Deciphering the structure-property relationship and antioxidant mechanisms of Trehalose – An in-silico approach
Durga Prasad, et al. Journal of Molecular Structure, 2023, 1291, 135957
  • Publication
  • Mar 15, 2023
Structural basis of odorant recognition by a human odorant receptor
Billesbølle, et al. Nature, 2023, 615, 742–749
  • Publication
  • Jan 22, 2024
Physics-based molecular modeling of biosurfactants
Coscia, et al. Current Opinion in Colloid & Interface Science , 2023, 68, 101760
  • Publication
  • Jan 22, 2024
Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase
Levine, et al. J. Chem. Theory Comput., 2023, 19(24), 9302–9317
  • Publication
  • Mar 16, 2023
Effect of External Pressure and Quantum State on the Local Magnetization of Germanium Layers: Ab Initio Calculation
Aleksei Vasilievich Goncharov, et al. Advanced Theory and Simulations, 2023, 6(3), 2200816
  • Publication
  • Mar 16, 2023
Light emission mechanism in dimers of carbene-metal-amide complexes
Armands Ruduss, et al. Physical Chemistry Chemical Physics, 2023, 25(4), 3220-3231
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