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DiffFit: Visually-Guided Differentiable Fitting of Molecule Structures to a Cryo-EM Map
Deng Luo, Zainab Alsuwaykit, Dawar Khan +3
We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In struc…
SynopSet: Multiscale Visual Abstraction Set for Explanatory Analysis of DNA Nanotechnology Simulations
Deng Luo, Alexandre Kouyoumdjian, Ondřej Strnad +3
We propose a new abstraction set (SynopSet) that has a continuum of visual representations for the explanatory analysis of molecular dynamics simulations (MDS) in the DNA nanotechn…
Modeling in the Time of COVID-19: Statistical and Rule-based Mesoscale Models
Ngan Nguyen, Ondrej Strnad, Tobias Klein +8
We present a new technique for rapid modeling and construction of scientifically accurate mesoscale biological models. Resulting 3D models are based on few 2D microscopy scans and…