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- 2017
- Multiscale Modelling of Lytic Polysaccharide Monooxygenases
- Relativistic Polarizable Embedding
- Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
- Supramolecular assembly of thermoresponsive steroidal surfactant with oppositely charged thermoresponsive block copolymer
- Swelling and Microstructure of Nanoplatelet Systems
- Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals
- Adsorption of polyelectrolyte-like proteins to silica surfaces and the impact of pH on the response to ionic strength. A Monte Carlo simulation and ellipsometry study
- Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)
- Assembling oppositely charged lock and key responsive colloids: A mesoscale analog of adaptive chemistry
- Comparison of QM/MM Methods To Obtain Ligand-Binding Free Energies