molecular dynamics
http://www.yso.fi/onto/yso/p29332
Related projects
- Excitation energy transfer in chemical and biological systems
- Morozov, Dmitry
- Department of Chemistry
- Research Council of Finland
Related publications and other outputs
1 of 6
- 2023 Roadmap on molecular modelling of electrochemical energy materials (2023) Zhang, Chao; et al.; A1; OA
- Electronic and optical properties of gold clusters with carbene ligands using density functional theory calculations (2023) Sabooni Asre Hazer, Maryam; G5; OA; 978-951-39-9635-2
- Encapsulation of xenon by bridged resorcinarene cages with high 129Xe NMR chemical shift and efficient exchange dynamics (2023) Komulainen, Sanna; et al.; A1; OA
- gmXtal : Cooking Crystals with GROMACS (2023) Buslaev, Pavel; et al.; A1; OA
- Molecular dynamics simulations of acids and bases in biomolecular environments (2023) Aho, Noora; G5; OA; 978-951-39-9504-1
- Multi-scale molecular dynamics simulations of enhanced energy transfer in organic molecules under strong coupling (2023) Sokolovskii, Ilia; et al.; A1; OA
- New spiro-indeno[1,2-b]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights (2023) Barakat, Assem; et al.; A1; OA
- What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster? (2023) Monti, Marta; et al.; A1; OA
- 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
