2 results match your criteria: "University of Washington Department of Chemical Engineering[Affiliation]"
Mycobacteria that cause tuberculosis have retained ancestrally acquired genes for the biosynthesis of chemically diverse terpene nucleosides.
PLoS Biol
September 2024
Division of Rheumatology, Inflammation and Immunity, Brigham and Women's Hospital, Harvard Medical School, Boston, Massachusetts, United States of America.
Article Synopsis
- Mycobacterium tuberculosis (Mtb) makes a special molecule called 1-tuberculosinyladenosine (1-TbAd) that helps it survive in human immune cells by blocking their functions.
- Researchers found that certain genes are important for making 1-TbAd and used new software to study how Mtb produces lipids, leading to discoveries of many related molecules.
- They also discovered that the genes for making 1-TbAd are present in some bacteria outside the usual group known for tuberculosis, showing how these genes could have spread and suggesting that these molecules might be important for understanding human TB disease.
Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble.
J Chem Theory Comput
July 2012
University of Washington Department of Chemical Engineering, Seattle, Washington, United States.
Herein, we report significant reduction in the cost of combined parallel tempering and metadynamics simulations (PTMetaD). The efficiency boost is achieved using the recently proposed well-tempered ensemble (WTE) algorithm. We studied the convergence of PTMetaD-WTE conformational sampling and free energy reconstruction of an explicitly solvated 20-residue tryptophan-cage protein (trp-cage).
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