Pagination
Publications
Introducing VIKING: A Novel Online Platform for Multiscale Modeling, , ACS Omega, 5, 1254-1260, (2020)
Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process, , Journal of Biomolecular Structure & Dynamics, 39, 6870-6881, (2020)
Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18-Hexaazatrinaphthylene-Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry, , ChemPhysChem, 21, 2506-2514, (2020)
Photodesorption mechanism of water on WO3(001) â a combined embedded cluster, computational intelligence and wave packet approach, , Physical Chemistry - Chemical Physics, 22, 19267-19274, (2020)
2019
Molecular Oxygen Binding in the Mitochondrial Electron Transfer Flavoprotein, , Journal of Chemical Information and Modeling, 59, 4868-4879, (2019)
MolSpin — Flexible and extensible general spin dynamics software, , Journal of Physical Chemistry, 151, 194105-(1-13), (2019)
Prechondrogenic ATDC5 cell attachment and differentiation on graphene foam; modulation by surface functionalization with fibronectin, , ACS Applied Materials and Interfaces, 11, 41906-41924, (2019)
Modeling elastic properties of polystyrene through coarse-grained molecular dynamics simulations, , European Physical Journal D, 73, 226-238, (2019)