Wednesday, April 24, 2024 4/24/2024

AutoDock Suite: Next Generation Environment for Drug Design

Award Number: R01GM069832
ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
OPDIV: NIH
AWARD CLASS: DISCRETIONARY
AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)

Group Awards By Issue Date FY or Funding FY:

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Project Summary Computational docking is an essential tool for analysis of biomolecular structure and function and for the discovery and development of new bioactive compounds. In particular, virtual screening is now widely used to discover new compounds to bind and inhibit targets of medicinal interest. The AutoDock Suite of programs is currently the most widely used, freely-available method for automated computational docking. This success is the result of several aspects of the work performed under the previous granting period: the continued development of the method to address problems of interest in the community, such as covalent docking and active site prediction, and the development of user-friendly interfaces and user support that ensure that the method is accessible to the widest community possible. As a result of this work, we have seen adoption and extension of the AutoDock suite by expert users, using the suite as a platform for research in computational chemistry and algorithm development, in parallel with widespread application by experimental chemists and molecular biologists who are not experts in computational chemistry. In the proposed work, we will develop AutoDock into a next generation tool for drug design and discovery. This will include extensions of the methods of AutoDock to address the expanding and varied needs of a large user community. We will develop new methods for ligand design that allow to generate novel compounds, employing specific constraints that will ensure that such compounds are synthetically accessible, and predicted to have desirable pharmacological properties. We will also continue and expand our strong commitment to user support, creating interfaces that streamline use of the AutoDock suite by the user community, and providing effective support and training.


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 = $0 )
2024	2023	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	19	10/11/2023	NON-COMPETING CONTINUATION	$0
														Subtotal = $0

Issue Date FY: 2023 ( Subtotal = $764,604 )
2023	2023	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	001	19	9/22/2023	SUPPLEMENT FOR EXPANSION	$242,600
2023	2023	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	19	9/6/2023	NON-COMPETING CONTINUATION	$522,004
														Subtotal = $764,604

Issue Date FY: 2022 ( Subtotal = $523,910 )
2022	2022	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	001	18	7/28/2022	COMPETING CONTINUATION	$523,910
2022	2020	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	17	4/18/2022	NON-COMPETING CONTINUATION	$0
														Subtotal = $523,910

Issue Date FY: 2020 ( Subtotal = $538,555 )
2020	2020	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	17	8/3/2020	NON-COMPETING CONTINUATION	$538,555
														Subtotal = $538,555

Issue Date FY: 2019 ( Subtotal = $538,555 )
2019	2019	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	16	9/23/2019	NON-COMPETING CONTINUATION	$538,555
														Subtotal = $538,555

Issue Date FY: 2018 ( Subtotal = $538,555 )
2018	2018	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	15	8/2/2018	NON-COMPETING CONTINUATION	$538,555
														Subtotal = $538,555

Issue Date FY: 2017 ( Subtotal = $618,555 )
2017	2017	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	002	14	9/19/2017	SUPPLEMENT FOR EXPANSION	$80,000
2017	2017	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	001	14	7/19/2017	NON-COMPETING CONTINUATION	$538,555
2017	2015	SCRIPPS RESEARCH INSTITUTE, THE	10550 NORTH TORREY PINES RD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	12	12/17/2016	NON-COMPETING CONTINUATION	$0
														Subtotal = $618,555

Issue Date FY: 2016 ( Subtotal = $548,773 )
2016	2016	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	001	13	9/19/2016	COMPETING CONTINUATION	$548,773
2016	2015	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	12	9/14/2016	NON-COMPETING CONTINUATION	$0
														Subtotal = $548,773

Issue Date FY: 2015 ( Subtotal = $509,643 )
2015	2015	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	12	8/3/2015	NON-COMPETING CONTINUATION	$509,643
														Subtotal = $509,643

Issue Date FY: 2014 ( Subtotal = $509,643 )
2014	2014	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	11	9/17/2014	NON-COMPETING CONTINUATION	$509,643
														Subtotal = $509,643

Issue Date FY: 2013 ( Subtotal = $491,804 )
2013	2013	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	10	7/26/2013	NON-COMPETING CONTINUATION	$491,804
														Subtotal = $491,804

Issue Date FY: 2012 ( Subtotal = $509,643 )
2012	2012	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	001	9	8/28/2012	COMPETING CONTINUATION	$509,643
2012	2011	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	8	8/27/2012	NON-COMPETING CONTINUATION	$0
														Subtotal = $509,643

Issue Date FY: 2011 ( Subtotal = $506,168 )
2011	2011	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	001	8	7/14/2011	NON-COMPETING CONTINUATION	$32,211
2011	2011	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	8	3/24/2011	NON-COMPETING CONTINUATION	$473,957
														Subtotal = $506,168

Issue Date FY: 2010 ( Subtotal = $512,185 )
2010	2010	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	7	3/29/2010	NON-COMPETING CONTINUATION	$512,185
														Subtotal = $512,185

Issue Date FY: 2009 ( Subtotal = $503,210 )
2009	2009	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	6	3/30/2009	NON-COMPETING CONTINUATION	$503,210
														Subtotal = $503,210

Issue Date FY: 2008 ( Subtotal = $489,069 )
2008	2008	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	5	3/31/2008	COMPETING CONTINUATION	$489,069
														Subtotal = $489,069

Issue Date FY: 2007 ( Subtotal = $430,596 )
2007	2007	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	4	12/11/2006	NON-COMPETING CONTINUATION	$430,596
														Subtotal = $430,596

Issue Date FY: 2006 ( Subtotal = $423,904 )
2006	2006	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	3	12/18/2005	NON-COMPETING CONTINUATION	$423,904
														Subtotal = $423,904

Issue Date FY: 2005 ( Subtotal = $421,462 )
2005	2005	SCRIPPS RESEARCH INSTITUTE	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	2	12/24/2004	NON-COMPETING CONTINUATION	$421,462
														Subtotal = $421,462

Issue Date FY: 2004 ( Subtotal = $416,186 )
2004	2004	SCRIPPS RESEARCH INSTITUTE, TPC 7	10666 NORTH TORREY PINES ROAD	LA JOLLA	CA	92037	SAN DIEGO	USA	Biomedical Research and Research Training	000	1	12/26/2003	NEW	$416,186
														Subtotal = $416,186

Grand Total All Awards = $9,795,020

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AutoDock Suite: Next Generation Environment for Drug Design

Award Number: R01GM069832

ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES

OPDIV: NIH

AWARD CLASS: DISCRETIONARY

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

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