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Los Alamos National Laboratory

Los Alamos National Laboratory

Delivering science and technology to protect our nation and promote world stability

Theoretical Biology and Biophysics

Modeling biological systems and analysis and informatics of molecular and cellular biological data
  • Mathematical Biology/Immunology

    Fundamental science and modeling enabling host-pathogen science

  • Computational Structural Biology

    Understanding biomolecule function by determining their 3-D macromolecular structure

  • Bioinformatics and Epidemiology

    Sequence analysis using advanced algorithms, software, computational hardware

Contacts  

  • Deputy Group Leader
  • Ben McMahon
  • Email

Mathematical modeling and computational analysis of cellular and molecular biology

One of the few research groups in the world devoted to mathematical modeling and computational analysis of problems in cellular and molecular biology.

Capabilities

Mathematical biology

Fundamental science and modeling enabling host-pathogen science

  • Mathematical biology of viral dynamics and evolution
  • Multi-scale modeling of host-pathogen interactions, host immunity, and within-host infection
  • RNA interference (RNAi) screens to identify key human genes that function in pathogenesis and host response
  • Characterization of pathogen and host small RNAs as potential targets for therapeutic development

Structural biology

Understanding biomolecule function by determining their 3-D macromolecular structure

  • Novel approaches to experimentally and computationally learn about secondary structures of large RNAs.  These may be related to epigenetics.
  • Develop models that exploit neutron crystallography to enable understanding of 3d structures of proteins — key to the mechanism of enzymes & ribozymes.
  • Large-scale  simulations using enhanced sampling methods on high-performance computing platforms produce new insight in the dynamics of enzymes and mechanism of biomolecular complexes

Bioinformatics and epidemiology

Sequence analysis using advanced algorithms, software and computational hardware

  • World-class databases and tools for HIV, hepatitis C virus, hemorragic fever viruses, and Influenza sequences
  • Leader in metagenome data analysis (assembly, kmer-based signature calculations, binning, classification, comparisons)
  • Developing algorithms that leverages our understanding of evolution to develop vaccines and bring new insights into epidemics using sequence data
Research
  • Dynamics and treatment of viral diseases such as
    • HIV
    • influenza
    • hepatitis
  • Immune system modeling
  • Receptor-ligand interactions and cell signaling
  • Computational aspects of the human genome initiative
  • Pattern recognition in DNA sequences
  • Characterization and prediction of macromolecular structure
  • Protein function and dynamics
  • Protein folding

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