molecular dynamics
http://www.yso.fi/onto/yso/p29332
Related projects
- Excitation energy transfer in chemical and biological systems
- Morozov, Dmitry
- Department of Chemistry
- Academy of Finland
Related publications and other outputs
1 of 5
- Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD : Anomalous Temperature Distributions from Commonly Used Thermostats (2022) Korpelin, Ville; et al.; A1; OA
- Best Practices in Constant pH MD Simulations : Accuracy and Sampling (2022) Buslaev, Pavel; et al.; A1; OA
- Computational studies of catalytic active site properties and reactions at the metal-oxide interface (2022) Korpelin, Ville; G5; OA; 978-951-39-9236-1
- Controlling Exciton Propagation in Organic Crystals through Strong Coupling to Plasmonic Nanoparticle Arrays (2022) Berghuis, Anton Matthijs; et al.; A1; OA
- Growth, single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular dynamics simulations, molecular docking, physico-chemical characterization and biological activity of novel thiocyanic complex with zinc transition metal precursor (2022) Makhlouf, Jawher; et al.; A1
- Isomer dynamics of the [Au6(NHC-S)4]2+ nanocluster (2022) Sabooni Asre Hazer, Maryam; et al.; A1; OA
- Molecular dynamics view on matrix isolation (2022) Järvinen, Teemu; G4; OA; 978-951-39-9356-6
- Photoinduced Electron Transfer in a Porphyrin-Fullerene Dyad at a Liquid Interface (2022) Sissaoui, Jihad; et al.; A1; OA
- Scalable Constant pH Molecular Dynamics in GROMACS (2022) Aho, Noora; et al.; A1; OA
- Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers (2022) Mironov, Vladimir; et al.; A1; OA
