4 papers
Binding Affinity between Polymer Dots (Pdots) and Ovalbumin Protein at Varying pH
Xingfei Wei, Wandi Xu, Kushani Mendis +2
Determining the binding mechanisms between polymer dots and proteins is important for developing novel nanotechnologies for biomedicine and bioimaging. In this work, we use all-ato…
Polymer-Linked Nanoparticle Networks Running on Heat Can Act as Computing Devices
Xingfei Wei, Manuel Palma Banos, Rigoberto Hernandez
Developing physical neural network (PNN) hardwares is important to next generation artificial intelligence systems. Phononic devices-using heat current to encode and process inform…
DNA Origami Nanostructures Observed in Transmission Electron Microscopy Images can be Characterized through Convolutional Neural Networks
Xingfei Wei, Qiankun Mo, Chi Chen +2
Artificial intelligence (AI) models remain an emerging strategy to accelerate materials design and development. We demonstrate that convolutional neural network (CNN) models can ch…
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…