“Tuning the Reactivity Landscape of Metalloenzymes: From Active Site Modifications to Long-range Dynamic Effects” Abstract: Metalloenzymes rely on transition metals within the protein scaffold to perform a wide variety of molecular […]
Abstract: Nature uses a limited set of twenty amino acids to synthesize proteins. In recent years it has become possible to site-specifically incorporate designer amino acids with tailored chemical properties […]
"Opening Windows into the Cell: Bringing Structure to Cell Biology Using Cryo-electron Tomography"
The NSF Center for Integrated Catalysis is delighted to announce that it will be hosting a monthly webinar series. The next webinar of this series will be held on Tuesday, […]
"Chemical and Biological Design Approaches to Controlling Protons, Electrons, and Substrates for Sustainable Catalysis" Abstract: The reductive transformation of small molecules into value-added products represents an attractive way to store sustainable […]
Abstract: An imbalance in the levels of the inhibitory neurotransmitter g-aminobutyric acid (GABA) and the excitatory neurotransmitter L-glutamate can lead to convulsions. Inhibition of g-aminobutyric acid aminotransferase (GABA-AT), the enzyme […]
Predicting material properties with the help of machine learning A central goal of computational physics and chemistry is to predict material properties using first-principles methods based on the fundamental laws […]
Molecules in quantum motion In order to fully understand the nature of chemical reactions and molecular properties, we need to simulate both the electronic and vibrational motion quantum mechanically. However, […]
“ Exploring Metalloenzymes for Therapeutics and Sustainable Catalysis” Abstract: Metalloenzymes are at the heart of numerous biological processes ranging from respiration and photosynthesis to natural product biosynthesis. Research in the […]
Abstract: Primary and secondary mutations in anaplastic lymphoma kinase (ALK) are oncogenic. Insights into ALK acquired resistance were used to define a drug design strategy that led to the discovery […]
"Switches, sensors, and new shapes: from design of new functions to cellular consequences of allostery"
