Robuta

https://www.southampton.ac.uk/study/postgraduate-research/projects/molecular-simulation-approaches-to-scaffold-hopping
Discover more about our research project: Molecular simulation approaches to scaffold-hopping at the University of Southampton.
university of southamptonmolecular simulationapproachesscaffoldhopping
https://www.molsimlab.com/projects-1
molecular simulationbiomolecules
https://www.nist.gov/programs-projects/molecular-dynamics-simulation-heat-transport-gate-all-around-transistors
Thermal efficiency of semiconductor devices is pivotal to their operation and performance, especially now that the dimensions of transistor features are...
molecular dynamics simulationgate all aroundheat transport
https://link.springer.com/article/10.1186/s40643-022-00546-y?error=cookies_not_supported&code=5f7f4034-ea54-47fe-b333-109240a49279
May 13, 2022 - Although current computational biology software is available and has prompted the development of enzyme–substrates simulation, they are difficult to
web servercombiningproteinmodellingdocking
https://acce.beu.edu.az/articles/1
molecular simulationarticlegeminilikesurfactant
https://zenodo.org/records/10850991
Indentation is one of the most widely used methods to determine the characteristics of metallic materials. Molecular dynamics (MD) simulations are a powerful...
molecular dynamics simulationsupplementarymaterialnanoindentation
https://www.osti.gov/dataexplorer/biblio/dataset/1432985
The U.S. Department of Energy's Office of Scientific and Technical Information
molecular simulationcarbon dioxidemodelsintercalationhydrated
https://www.graphcore.ai/posts/leveraging-the-ipu-for-molecular-dynamics-simulation
Deep learning provides a new means to analyze the force of atoms. Here, IPU hardware is leveraged for water molecule simulation and the DeePMD-kit is used for...
molecular dynamics simulationleveragingipu
https://atomsufrj.wixsite.com/home
The ATOMS group leads research in Applied Thermodynamics And Molecular Simulation. Based on experimental and computational laboratories in UFRJ, we are working...
applied thermodynamicsmolecular simulationatoms