Resource Statistics Workshop on Computational Biophysics 2026
Follow \@tcbguiuc
NAMD 3.1 (available in the Nightly
Builds directory) now supports trajectory output for atom selections with different frequencies. This feature helps users save significant storage space by retaining high-frequency outputs only for regions of greatest interest and reduce the writing frequency for the rest of the system. The user can set different writing frequencies to different selections and compose trajectories as needed for analysis. The result is streamlined post-processing, easier segmented analysis by .dcd file, and faster data transfers.
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
NAMD History: The Drama
In the 1980s Klaus Schulten let two students build him a supercomputer. This
risky project, and a 1990s student revolt, led to NAMD. Now with 50,000 users
worldwide, this article charts the colorful history of NAMD. By Lisa Pollack.
Read more
Announcements
Seminars
Resource Usage
Remembering Klaus Schulten
Recent Publications All Publications
- Probing Solution Dynamics of Tissue Factor Using Molecular Dynamics Simulations Guided by NMR Chemical Shifts. J. Phys. Chem. B, 2026.
- Elucidating the binding and metabolic interactions of sunitinib and sorafenib with cytochrome P450s CYP2U1 and CYP2D6. Mol. Pharmacol., 108(4):100114. 2026.
- LetA defines a structurally distinct transporter family. Nature, 651(8107): 1097–1106. 2026.
- Single-Molecule Electron Transport in Peptoids. J. Phys. Chem. B, 130(11):3054–3064. 2026.
- Cholesterol efflux protein, ABCA1, supports anticancer functions of myeloid immune cells. Sci. Adv., 12(1):eadx5490. 2026.
- Thermodynamic and Kinetic Analysis of Molecular Conformational Dynamics in a Riemannian Framework. J. Phys. Chem. A, 130(5):1220–1232. 2026.
- Simulating Gas Permeation Through the Central Pore of AQP5. Adv Exp Med Biol., 1498:105–113. 2026.
Highly Cited
Magnetic field dependence of the geminate recombination of radical ion pairs in polar solvents. Zeitschrift fur Physikalische Chemie, NF101:371-390, 1976.
Click here for other highly cited papers
Click here for other highly cited papers





