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Multiscale Computer Simulation of Key Biomolecular Processes in the Cell

Award Number: R01GM063796
ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
OPDIV: NIH
AWARD CLASS: DISCRETIONARY
AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)
PERIOD OF PERFORMANCE START DATE: 06/01/2001
PERIOD OF PERFORMANCE END DATE: 02/28/2026

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Multiscale Computer Simulation of Key Biomolecular Processes in the Cell - Project Summary Protein-protein interactions, self-assembly, and membrane targeting and remodeling are intimately associated with many critical cellular phenomena, including endocytosis, infection, immune response, organelle formation, cell division, signaling, and movement. These processes are innately multiscale, as they span from the molecular to nanoscopic to mesoscopic time and length scales. For instance, the molecular-level interactions between collections of proteins and the lipid membrane can have a profound effect on the large scale membrane morphology. Likewise, the atomistic details of actin and actin-binding protein interactions propagate to much longer length and time scales involving protein assembly processes in the cellular cytoskeleton. Therefore, the main scientific premise of this project is that it is critical to study, in a coupled fashion across multiple scales, the propagation of local molecular interactions upward in scale to the collective behavior at the cellular level. The research involves the continued development and application of novel multiscale, coarse-grained computational methods that are ideally suited to investigate the collective interactions of proteins with other proteins and with membranes, within the context of key cellular phenomena There are two main overarching aims of this research: (1) the continued development of new multiscale simulation methods that can be utilized to study increasingly complex aspects of large scale protein-protein and protein-mediated membrane processes, and (2) the elaboration of the mechanisms by which key proteins target and remodel realistic biological membranes, and how proteins interact and self-assemble with one another in the cytoskeleton and at the cytoskeleton-membrane interface. In collaboration with leading experimental researchers, the applications of the multiscale simulations will include studies of realistic membrane models, protein-mediated remodeling of membranes and actin filaments, the interaction of actin filaments with peripheral membrane proteins to regulate membrane curvature, and the mechanism of highly ordered coat protein-induced membrane remodeling. The overarching long term goal of this research is to continue to develop and apply a powerful and systematic multiscale computational approach for the study of realistic biomolecular phenomena of significant importance to various cellular phenomena.


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: 2025 ( Subtotal = $342,017 )
2025	2025	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	21	3/3/2025	NON-COMPETING CONTINUATION	$307,815
2025	2025	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	21	8/5/2025	NON-COMPETING CONTINUATION	$34,202
														Subtotal = $342,017

Issue Date FY: 2024 ( Subtotal = $342,017 )
2024	2024	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	20	7/15/2024	NON-COMPETING CONTINUATION	$34,202
2024	2024	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	20	3/22/2024	NON-COMPETING CONTINUATION	$307,815
														Subtotal = $342,017

Issue Date FY: 2023 ( Subtotal = $342,017 )
2023	2023	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	002	19	2/9/2023	NON-COMPETING CONTINUATION	$342,017
2023	2022	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	18	11/7/2022	COMPETING CONTINUATION	$44,716
2023	2020	UNIVERSITY OF CHICAGO	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	17	11/7/2022	NON-COMPETING CONTINUATION	-$44,716
														Subtotal = $342,017

Issue Date FY: 2022 ( Subtotal = $342,017 )
2022	2022	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	002	18	4/18/2022	COMPETING CONTINUATION	$342,017
2022	2020	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	17	1/19/2022	NON-COMPETING CONTINUATION	$0
2022	2020	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	17	4/8/2022	NON-COMPETING CONTINUATION	$0
														Subtotal = $342,017

Issue Date FY: 2020 ( Subtotal = $323,806 )
2020	2020	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	17	12/20/2019	NON-COMPETING CONTINUATION	$291,425
2020	2020	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	17	2/28/2020	NON-COMPETING CONTINUATION	$32,381
														Subtotal = $323,806

Issue Date FY: 2019 ( Subtotal = $392,559 )
2019	2019	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	16	12/25/2018	NON-COMPETING CONTINUATION	$392,559
														Subtotal = $392,559

Issue Date FY: 2018 ( Subtotal = $427,272 )
2018	2018	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	15	11/30/2017	NON-COMPETING CONTINUATION	$384,544
2018	2018	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	15	5/7/2018	NON-COMPETING CONTINUATION	$42,728
														Subtotal = $427,272

Issue Date FY: 2017 ( Subtotal = $358,563 )
2017	2017	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	14	12/29/2016	COMPETING CONTINUATION	$324,543
2017	2017	UNIVERSITY OF CHICAGO, THE	5801 S ELLIS AVE	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	14	8/30/2017	SUPPLEMENT FOR EXPANSION	$34,020
														Subtotal = $358,563

Issue Date FY: 2014 ( Subtotal = $0 )
2014	2012	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	13	8/29/2014	NON-COMPETING CONTINUATION	$0
														Subtotal = $0

Issue Date FY: 2012 ( Subtotal = $311,907 )
2012	2012	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	13	8/27/2012	NON-COMPETING CONTINUATION	$311,907
														Subtotal = $311,907

Issue Date FY: 2011 ( Subtotal = $398,393 )
2011	2011	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	000	12	8/26/2011	NON-COMPETING CONTINUATION	$398,393
														Subtotal = $398,393

Issue Date FY: 2010 ( Subtotal = $408,265 )
2010	2010	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	004	11	9/6/2010	SUPPLEMENT FOR EXPANSION	$0
2010	2010	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	003	11	9/2/2010	SUPPLEMENT FOR EXPANSION	$87,360
2010	2010	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	002	11	8/25/2010	NON-COMPETING CONTINUATION	$315,058
2010	2009	UNIVERSITY OF CHICAGO	1225 EAST 60TH ST	CHICAGO	IL	60637	COOK	USA	Biomedical Research and Research Training	001	10	6/3/2010	CHANGE OF GRANTEE / TRAINING INSTITUTION / AWARDING INSTITUTION	$165,847
2010	2009	UNIVERSITY OF UTAH	201 SOUTH PRESIDENT`S CIRCLE	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	9	6/2/2010	COMPETING CONTINUATION	-$160,000
														Subtotal = $408,265

Issue Date FY: 2009 ( Subtotal = $307,020 )
2009	2009	UNIVERSITY OF UTAH	201 SOUTH PRESIDENT`S CIRCLE	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	9	8/10/2009	COMPETING CONTINUATION	$307,020
														Subtotal = $307,020

Issue Date FY: 2008 ( Subtotal = $269,331 )
2008	2008	UNIVERSITY OF UTAH	201 SOUTH PRESIDENT`S CIRCLE	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	8	8/25/2008	NON-COMPETING CONTINUATION	$269,331
														Subtotal = $269,331

Issue Date FY: 2007 ( Subtotal = $269,331 )
2007	2007	UNIVERSITY OF UTAH	201 SOUTH PRESIDENT`S CIRCLE	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	7	8/30/2007	NON-COMPETING CONTINUATION	$269,331
														Subtotal = $269,331

Issue Date FY: 2006 ( Subtotal = $277,375 )
2006	2006	UNIVERSITY OF UTAH	201 S PRESIDENT'S CIR ROOM 406	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	6	8/22/2006	NON-COMPETING CONTINUATION	$277,375
														Subtotal = $277,375

Issue Date FY: 2005 ( Subtotal = $284,050 )
2005	2005	UNIVERSITY OF UTAH	201 S PRESIDENT'S CIR ROOM 406	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	5	8/18/2005	COMPETING CONTINUATION	$284,050
														Subtotal = $284,050

Issue Date FY: 2004 ( Subtotal = $225,000 )
2004	2004	UNIVERSITY OF UTAH	201 S PRESIDENT'S CIR ROOM 406	SALT LAKE CITY	UT	84112	SALT LAKE	USA	Biomedical Research and Research Training	000	4	5/27/2004	NON-COMPETING CONTINUATION	$225,000
														Subtotal = $225,000

Issue Date FY: 2003 ( Subtotal = $225,000 ) (Continued on the next page)
Grand Total All Awards = $6,295,878

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Multiscale Computer Simulation of Key Biomolecular Processes in the Cell

Award Number: R01GM063796

ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES

OPDIV: NIH

AWARD CLASS: DISCRETIONARY

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

PERIOD OF PERFORMANCE START DATE: 06/01/2001

PERIOD OF PERFORMANCE END DATE: 02/28/2026

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