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21. Molecular choreography Barbara Herlah, Matic Pavlin, Andrej Perdih, 2024, original scientific article Keywords: type IIA DNA topoisomerase, T-segment, catalytic cycle, molecular simulations, molecular dynamics |
22. Code for molecular dynamics simulation of two dimensional Mercedes-Benz water model Peter Ogrin, Cristiano L. Dias, Tomaž Urbič, 2024, original scientific article Keywords: water, water models, Mercedes-Benz water model, molecular dynamics |
23. Multiscale simulation of fluid flow interaction with biological macromolecules Petra Papež, 2024, doctoral dissertation Keywords: biological macromolecules, dissipative particle dynamics, open-boundary molecular dynamics, sound wave, principal component analysis, shear flow, Eckart frame formalism, vibration and rotation |