
made with VND
Experimental techniques continue to provide neuroscientists with
structural and functional data on neurons at a rapidly increasing level
of detail; biophysically-detailed brain models and simulations can
provide integrated understanding of neuronal structures, connectivity,
and function. Visual
Neuronal Dynamics (VND) is
award-winning software for 3D visualization and exploration of
neuronal models and simulations. The software is produced by the Center,
in collaboration with Allen
Institute, and is compatible with the Brain Modeling Toolkit
(BMTK). In addition to readily visualizing models at multiple
scales, neuron
firings can be animated showing how "lightning storms" travel
through the brain. Advanced visualization techniques help the viewer
make sense of the dense neuronal thicket. The latest VND release includes flexible browsing and selection of neuron attributes, GUI improvements with information about neurons, and a refined line-only viewing mode.
The Future of Biomolecular Modeling
A 2015 TCBG Symposium brought together scientists from across the Midwest to brainstorm about what's on the horizon for computational modeling. See a summary of what these experts foresee.
Read more
The Annals of MDFF
MDFF is a computational method that yields structures of massive biomolecular assemblies at atomic detail, using hybrid experimental data. Now Illinois scientists are applying MDFF to fascinating systems like the ribosome and HIV. By Lisa Pollack.
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Announcements
Double HPCWire awards for HyunAuburn University hosts the 60th edition of the Renowned Computational Biophysics WorkshopVMD Programmer Position AvailableAuburn Workshop
Seminars
Remembering Klaus Schulten
Recent Publications All Publications
- Application Experiences on a GPU-Accelerated Arm-based HPC Testbed. Association for Computing Machinery, HPC Asia '23 Workshops. 2023.
- VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations. J. Chem. Inf. Model., 63:4664-4678. 2023.
- Quinoline Thiourea-Based Zinc Ionophores with Antibacterial Activity. J. Med. Chem., 66:11078-11093. 2023.
- Structures and membrane interactions of native serotonin transporter in complexes with psychostimulants. Proc. Natl. Acad. Sci. USA, 2023.
- End-to-end AI framework for interpretable prediction of molecular and crystal properties. Machine Learning: Science and Technology, 2023.
- Insights into substrate transport and water permeation in the mycobacterial transporter MmpL3. Biophys. J., 2023.
- Tuning phenylalanine fluorination to assess aromatic contributions to protein function and stability in cells. Nat. Commun., 14:59. 2023.
Highly Cited
Scalable molecular dynamics with NAMD. Journal of Computational Chemistry, 26:1781-1802, 2005.
Click here for other highly cited papers
Click here for other highly cited papers