Probing the Structure/Function/Dynamics Relationship in Biomolecular Complexes with Multiscale Computational Techniques

Information

  • Research Project
  • 10205822
  • ApplicationId
    10205822
  • Core Project Number
    R35GM119647
  • Full Project Number
    2R35GM119647-06
  • Serial Number
    119647
  • FOA Number
    PAR-19-367
  • Sub Project Id
  • Project Start Date
    9/1/2016 - 7 years ago
  • Project End Date
    8/31/2026 - 2 years from now
  • Program Officer Name
    LYSTER, PETER
  • Budget Start Date
    9/1/2021 - 2 years ago
  • Budget End Date
    8/31/2022 - a year ago
  • Fiscal Year
    2021
  • Support Year
    06
  • Suffix
  • Award Notice Date
    7/26/2021 - 2 years ago

Probing the Structure/Function/Dynamics Relationship in Biomolecular Complexes with Multiscale Computational Techniques

Project Summary: Over the last two decades, enabled by progress in synchrotron radiation techniques, molecular biology methods, and computational resources, there has been tremendous progress in determining the conformations of biomolecules that has led to deep structural and functional insights. But there is another dimension to biological function, namely dynamics, which is, as yet, underexplored. This has created a serious blind spot that inhibits progress towards a full understanding of macromolecular functions and biological processes. The broad objective of this proposal is to utilize and develop computer simulations that address this deficiency in knowledge by rigorously modeling biomolecular dynamics to increase our understanding of biological processes. More specifically, we will pursue three interrelated projects. First, we will determine how chromatin remodeling factors influence the dynamics of nucleosomes and chromatin fibers as a means of epigenetic gene regulation. Second, we will examine the mechanisms of key virulence factors in bacteria, including how they scagence iron from hosts and how they defended themselves from peptidomimetics. Finally, we will develop computational methods that more effectively model the results of solution small angle X-ray scattering experiments for diverse biomolecular complexes. Completion of these studies will reveal intricate details about the relationship between the structure, function, and dynamics of multicomponent biomolecular complexes across a vast range of time and length scales. Furthermore, the synergy between the scientific goals, as well as the computational methods and strong experimental collaborations in each of these projects, will foster new opportunities and areas of scientific inquiry that the MIRA award will allow us to pursue. Overall, this work will address a series of fundamental gaps in knowledge for critical biological processes, and will lay the foundation for future studies that will improve the treatment and prevention of human ailments.

IC Name
NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
  • Activity
    R35
  • Administering IC
    GM
  • Application Type
    2
  • Direct Cost Amount
    398000
  • Indirect Cost Amount
    134952
  • Total Cost
    532952
  • Sub Project Total Cost
  • ARRA Funded
    False
  • CFDA Code
    859
  • Ed Inst. Type
    SCHOOLS OF ARTS AND SCIENCES
  • Funding ICs
    NIGMS:532952\
  • Funding Mechanism
    Non-SBIR/STTR RPGs
  • Study Section
    ZRG1
  • Study Section Name
    Special Emphasis Panel
  • Organization Name
    ILLINOIS INSTITUTE OF TECHNOLOGY
  • Organization Department
    PHYSICS
  • Organization DUNS
    042084434
  • Organization City
    CHICAGO
  • Organization State
    IL
  • Organization Country
    UNITED STATES
  • Organization Zip Code
    606163717
  • Organization District
    UNITED STATES