KAUST researchers are exploring novel chemical reactors and separation processes using mathematical design, with a focus on time and shape variables to enhance transport, heat transfer, and mass transfer. By aligning design, modeling, and 3D printing, they create customized shapes with great complexity and less material. This approach allows for the creation of bespoke reactors and separation processes tailored to specific applications, improving efficiency and reducing energy consumption. Why it matters: This research demonstrates the potential of advanced manufacturing techniques to revolutionize industrial design in the Middle East's chemical and pharmaceutical sectors.
KAUST Discovery Associate Professor Stefan Arold has established KAUST's first structural biology lab specializing in determining the atomic 3D structure of proteins and other biological macromolecules. The lab setup involved challenges such as assembling instruments and continuing research, but the Bioscience Core Lab at KAUST and support from colleagues aided in the process. Arold's research focuses on understanding protein function through an integrated 'hybrid' approach to analyze 3D structure and function of proteins. Why it matters: This new lab enhances KAUST's capabilities in molecular biophysics and structural biology, enabling advanced research into the functions of proteins and their implications for health and disease.
KAUST researchers developed a statistical approach to improve the identification of cancer-related protein mutations by reducing false positives. The method uses Bayesian statistics to analyze protein domain data from tumor samples, accounting for potential errors due to limited data. The team tested their method on prostate cancer data, successfully identifying a known cancer-linked mutation in the DNA binding protein cd00083. Why it matters: This enhances the reliability of cancer research at the molecular level, potentially accelerating the discovery of new therapeutic targets.
MBZUAI hosted a two-day workshop on "Big Model AI in Drug Design" starting February 20, 2023. The workshop featured presentations from researchers in public and private institutions working on AI and health. MBZUAI Adjunct Professor Eran Segal opened the workshop with a talk on the Human Phenotype Project. Why it matters: The event highlights the growing interest and activity in applying AI, particularly large models, to advance drug discovery and personalized medicine within the UAE's research ecosystem.
Daisuke Kihara from Purdue University presented a seminar at MBZUAI on using deep learning for biomolecular structure modeling. His lab is developing 3D structure modeling methods, especially for cryo-electron microscopy (cryo-EM) data. They are also working on RNA structure prediction and peptide docking using deep neural networks inspired by AlphaFold2. Why it matters: Applying advanced deep learning techniques to biomolecular structure prediction can accelerate drug discovery and our understanding of molecular functions.
KAUST researchers in the Functional Materials Design, Discovery & Development group have discovered a minimal edge transitive net with high connectivity. This net was used as a blueprint for the design and construction of metal-organic frameworks (MOFs). Specifically, a new rare earth nonanuclear carboxylate-based cluster was used as an 18-connected MBB to form gea-MOF-1. Why it matters: This work contributes to the advancement of solid-state materials design, which could have broad implications for energy and environmental sustainability in the region.
A DeepMind researcher presented work on incorporating symmetries into machine learning models, with applications to lattice-QCD and molecular dynamics. The work includes permutation and translation-invariant normalizing flows for free-energy estimation in molecular dynamics. They also presented U(N) and SU(N) Gauge-equivariant normalizing flows for pure Gauge simulations and its extensions to incorporate fermions in lattice-QCD. Why it matters: Applying symmetry principles to generative models could improve AI's ability to model complex physical systems relevant to materials science and other fields in the region.
KAUST researchers have determined the atomic 3D structure of a key protein involved in plant stress signaling using X-ray crystallography at the SOLEIL synchrotron in France. Postdoctoral fellow Umar Farook Shahul Hameed optimized a tiny crystal of the plant enzyme for over six months. The team used the EIGER 9M detector to capture the weak diffraction pattern from the crystal. Why it matters: Understanding the interactions between proteins that communicate plant stress could lead to engineering more stress-tolerant crops, enhancing food security.