[Federal Register Volume 60, Number 243 (Tuesday, December 19, 1995)]
[Notices]
[Pages 65320-65321]
From the Federal Register Online via the Government Publishing Office [www.gpo.gov]
[FR Doc No: 95-30749]



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DEPARTMENT OF ENERGY
Office of Energy Research


Energy Research Financial Assistance Program Notice 96-03: 
Computational Structural Biology

Agency: Office of Energy Research, Department of Energy (DOE).

Action: Notice inviting grant applications.

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SUMMARY: The Office of Health and Environmental Research (OHER) of the 
Office of Energy Research (ER), U.S. Department of Energy (DOE), 
supports a comprehensive research program in the 

[[Page 65321]]
area of environmental sciences, health effects and life sciences, and 
medical applications. Major program research emphasis is placed on 
characterization of human and microbial genomes, structural biology, 
cellular and molecular biology, global climate change, improved 
technology for cleanup of DOE contaminated sites, advanced imaging 
technologies, and molecular nuclear medicine. With the explosion of 
nucleic acid and amino acid sequence data that stems from genome 
projects, there is an immediate need for greatly improved experimental 
and computational approaches for protein structure determination. To 
help meet this need, and in support of diverse missions of DOE, OHER is 
initiating a new program in computational structural biology. The 
purpose of this program is to support research that will enhance 
understanding of structure-function relationships in biological 
macromolecules. These relationships are very important for diverse 
applications in biotechnology, including development of drugs for 
diseases, new and improved biomaterials, design of enzymes for 
effective and efficient removal of environmental contaminants, and the 
development and conversion of bio-mass for fuels. In particular, 
research applications that integrate existing software tools in novel 
ways and/or develop new computational strategies to exploit databases 
of macromolecular structural information towards furthering our 
understanding of the relationships between sequence and structure are 
of particular interest to the program at this time. This includes the 
goals of predicting the structure and function of newly discovered gene 
sequences and the prediction or design of the chemical properties and 
architectural arrangement of proteins or nucleic acids needed for a 
particular functional application. Examples of existing approaches that 
fall into this category are knowledge-based or molecular extension 
methods (e.g., homology model building or multiple sequence alignment), 
ab initio folding (finding structures that fit sequences) and the 
development of tools to assign existing or new sequences to specific 
structures (e.g., finding sequences that fit structures through 
threading or inverse folding algorithms). Attention should be also 
focussed on the problem of negative design, the identification of 
aspects of a sequence that precludes its fitting a known structure. 
More generally, the integration and joint utilization of the growing 
body of sequence, structural and physical information is an area that 
offers new opportunities that are of interest to the program. Studies 
that rigorously compare existing tools and/or exploit the latest 
advances in multiple approaches (in algorithms, simulation, modeling 
and graphical representation/visualization) or that include the 
development of new computational and visualization techniques for 
application to the prediction of protein and nucleic acid structure and 
the exploitation of structure to predict function, will also be 
considered particularly responsive. Collaborative projects with two to 
five principal investigators, of complementary expertise and each with 
independent funding, aimed at achieving a synergistic effect in 
improving structure prediction accuracy through such activities as 
evaluation of different potential functions, the development of shared 
code, or an integrated attack on a set of problems in an area of 
prediction or in testing current modeling techniques are also 
encouraged. Funds for such projects would be comparable to individual 
awards, but could be used to nucleate a larger group effort.

DATES: Formal applications submitted in response to this notice must be 
received by 4:30 p.m., E.D.T., April 25, 1996, to be accepted for a 
June merit review and to permit timely consideration of award in Fiscal 
Year 1996.

ADDRESSES: Formal applications referencing Program Notice 96-03 should 
be forwarded to: U.S. Department of Energy, Office of Energy Research, 
Grants and Contracts Division, ER-64, 19901 Germantown Road, 
Germantown, Maryland 20874-1290, ATTN: Program Notice 96-03. The same 
address as above must be used when submitting applications by U.S. 
Postal Service Express Mail, any commercial mail delivery service, or 
hand carried by the applicant.

FOR FURTHER INFORMATION CONTACT: Dr. Matesh N. Varma, Office of Health 
and Environmental Research, ER-73, U.S. Department of Energy, 19901 
Germantown Road, Germantown, Maryland 20874-1290, telephone: (301) 903-
3209, Fax: (301) 903-0567, (E-mail: [email protected]).

SUPPLEMENTARY INFORMATION: Before preparing a formal application, 
potential applicants must submit a brief preapplication in accordance 
with 10 CFR 600.10(d)(2), which consists of two to three pages of 
narrative describing research objectives and methods of accomplishment. 
These will be reviewed relative to the scope and research needs for the 
computational structural biology program. Preapplications referencing 
Program Notice 96-03 should be received by January 23, 1996, and sent 
to Dr. Matesh N. Varma, Office of Health and Environmental Research, 
19901 Germantown Road, Germantown, Maryland 20874-1290, (301) 903-3209. 
Telephone and fax numbers and e-mail addresses are required to be part 
of the preapplication. A response to the preapplication discussing 
potential relevance of a formal application will be communicated by 
February 20, 1996. It is anticipated that approximately $2.0 million 
will be available for grant awards during Fiscal Year 1996 contingent 
upon availability of funds. We expect to award several grants in this 
area of research up to a few hundred thousand dollars per year. 
Information about development, submission, and the selection process, 
and other polices and procedures may be found in 10 CFR Part 605, and 
in the Application Guide for the Office of Energy Research Financial 
Assistance Program. The Application Guide is available from the U.S. 
Department of Energy, Office of Health and Environmental, ER-73, 19901 
Germantown Road, Germantown, Maryland 20874-1290. Telephone requests 
may be made by calling (301) 903-5349. Electronic access to ER's 
Financial Assistance Guide is possible via the Internet using the 
following E-mail address: http://www.er.doe.gov/

 The Catalog of Federal Domestic Assistance Number for this 
program is 81.049, and the solicitation control number is ERFAP 10 
CFR Part 605.

    Issued in Washington, D.C. on December 11, 1995.
D. D. Mayhew,
Associate Director, Office of Resource Management, Office of Energy 
Research.
[FR Doc. 95-30749 Filed 12-18-95; 8:45 am]
BILLING CODE 6450-01-P