Saturday, November 23, 2024 11/23/2024

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

Award Number: R35GM119647
ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
OPDIV: NIH
AWARD CLASS: DISCRETIONARY
AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)

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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.


Issue Date FY	Funding FY	Legal Entity Name	Legal Entity Address	Legal Entity City	Legal Entity State	Legal Entity Zip Code	Legal Entity COUNTY	Legal Entity COUNTRY	Assistance Listing	Award Code	Budget Year	Action Date	Action Type	Action Amount

Issue Date FY: 2024 ( Subtotal = $403,588 )
2024	2024	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH ST	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	9	8/6/2024	NON-COMPETING CONTINUATION	$403,588
														Subtotal = $403,588

Issue Date FY: 2023 ( Subtotal = $403,588 )
2023	2023	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH ST	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	8	9/14/2023	NON-COMPETING CONTINUATION	$403,588
														Subtotal = $403,588

Issue Date FY: 2022 ( Subtotal = $403,588 )
2022	2022	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH ST	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	002	7	8/31/2022	NON-COMPETING CONTINUATION	$403,588
2022	2021	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH ST	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	001	6	6/9/2022	COMPETING CONTINUATION	$90,026
2022	2020	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH ST	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	5	6/9/2022	NON-COMPETING CONTINUATION	-$90,026
														Subtotal = $403,588

Issue Date FY: 2021 ( Subtotal = $532,952 )
2021	2021	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH ST	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	6	7/26/2021	COMPETING CONTINUATION	$532,952
														Subtotal = $532,952

Issue Date FY: 2020 ( Subtotal = $357,448 )
2020	2020	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH STREET	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	5	9/9/2020	NON-COMPETING CONTINUATION	$357,448
														Subtotal = $357,448

Issue Date FY: 2019 ( Subtotal = $357,448 )
2019	2019	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH STREET	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	4	9/13/2019	NON-COMPETING CONTINUATION	$357,448
														Subtotal = $357,448

Issue Date FY: 2018 ( Subtotal = $357,448 )
2018	2018	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH STREET	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	3	9/5/2018	NON-COMPETING CONTINUATION	$357,448
														Subtotal = $357,448

Issue Date FY: 2017 ( Subtotal = $294,302 )
2017	2017	ILLINOIS INSTITUTE OF TECHNOLOGY	10 W 35TH STREET	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	2	9/1/2017	NON-COMPETING CONTINUATION	$294,302
														Subtotal = $294,302

Issue Date FY: 2016 ( Subtotal = $249,197 )
2016	2016	ILLINOIS INSTITUTE OF TECHNOLOGY	3300 SOUTH FEDERAL STREET	CHICAGO	IL	60616	COOK	USA	Biomedical Research and Research Training	000	1	8/17/2016	NEW	$249,197
														Subtotal = $249,197

Grand Total All Awards = $3,359,559

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

Award Number: R35GM119647

ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES

OPDIV: NIH

AWARD CLASS: DISCRETIONARY

AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)

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