A new review maps how quantum calculations, reactive simulations, machine learning, and FAIR data infrastructure must be coupled across scales to make lignocellulosic biorefinery design genuinely predictive. News Source: Teresa Odom. (October 25, 2026). From Electrons to Biorefineries: How Multiscale Modeling and…
Researchers at the University of Jyväskylä have encoded two layers of information into an artificial molecule, enabling it to self-assemble selectively into an anticlockwise triple helix.
New research in PLOS Biology shows that evolutionarily tuned histidine clusters on the sperm channel CatSper act as temperature- and pH-sensitive switches that couple neighboring channels into synchronized activation.
Bioengineer.org Green Solvent and Supercomputer Simulations Unlock a Stubborn Tea Enzyme
Joint Carnegie Mellon-University of Pittsburgh Ph.D. Program in Computational Biology Carnegie Mellon University CPCB student Xujian Wang receives award for research paper Congratulations to CPCB student Xujian Wang, who has received the Stephen L. Phillips Award for Best Research Paper at…
Enzymes are often described as molecular machines that recognize and process specific molecules. However, they are not rigid structures. Their shapes can change, and these changes can affect how molecules enter, interact with, and remain within their active sites. Pyrimidine-nucleoside…
Molecular dynamics and simulation of molecules, liquids and materials: force fields, machine-learned potentials and simulated reactions and proteins.
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