R24GM145965

Resource for Macromolecular Modeling and Visualization - Summary

The main mission of the P41 Biomedical Technology Research Resource for Macromolecular Modeling and Bioinformatics (P41-GM104601) over the last three decades has been developing state-of-the-art computational technologies for biomolecular and cell simulations and visualization. These technologies are implemented in efficient, economical, and user-friendly software solutions, which are then disseminated to the biomedical community at no cost.

The resource has enabled high-quality, rigorous research for biomedical scientists who need to integrate molecular and cell modeling, simulation, and visualization in their research. This includes diverse academic institutions as well as industry. The flagship software programs, VMD and NAMD, along with their auxiliary plugins, are currently used by more than 125,000 users and have received a staggering number of 57,000 citations (19,711 in 2018-2021 alone). These numbers reflect the massive use of the technologies and programs developed by the resource, as well as its substantial economies of scale.

The resource's partnership with the biomedical community resulted in the 2020 ACM Gordon Bell Special Prize for COVID-19 research. Under the R24 mode of operation, a major goal of the resource will be to ensure that its software solutions remain current and available to its large user base on existing and upcoming hardware platforms commonly used at local and institutional levels, as well as at national supercomputing centers. These centers play a crucial role in supporting the programs used by biomedical researchers, and several major supercomputing centers and hardware vendors have established strong relationships with the resource, even directly supporting software development and optimization.

Additionally, the resource will ensure the utility of its programs by including algorithmic changes/updates that are critical to the applicability of the codes and/or demanded by the community. The resource will also sustain and expand its comprehensive user training program, which is empowered by an already existing large collection of online tutorials, case studies, and hands-on workshops.

Another major activity of the resource will be to continue supporting its users in the proper and efficient application of the software programs through customer support services and expanding and upgrading the documentation for the programs.

The R24 Resource for Macromolecular Modeling and Visualization will be evaluated on a continuous basis by monitoring quantitative metrics such as the number of its active users (users of multiple versions of software) and citations. Regular user surveys will be conducted to request input from the user community, which will assist in identifying the most critical features and improvements. Technical input from the external advisory board will also contribute to the evaluation process.

University Of Illinois

THE NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES (NIGMS) SUPPORTS BASIC RESEARCH THAT INCREASES OUR UNDERSTANDING OF BIOLOGICAL PROCESSES AND LAYS THE FOUNDATION FOR ADVANCES IN DISEASE DIAGNOSIS, TREATMENT, AND PREVENTION. NIGMS ALSO SUPPORTS RESEARCH IN SPECIFIC CLINICAL AREAS THAT AFFECT MULTIPLE ORGAN SYSTEMS: ANESTHESIOLOGY AND PERI-OPERATIVE PAIN, CLINICAL PHARMACOLOGY ?COMMON TO MULTIPLE DRUGS AND TREATMENTS, AND INJURY, CRITICAL ILLNESS, SEPSIS, AND WOUND HEALING.? NIGMS-FUNDED SCIENTISTS INVESTIGATE HOW LIVING SYSTEMS WORK AT A RANGE OF LEVELSFROM MOLECULES AND CELLS TO TISSUES AND ORGANSIN RESEARCH ORGANISMS, HUMANS, AND POPULATIONS. ADDITIONALLY, TO ENSURE THE VITALITY AND CONTINUED PRODUCTIVITY OF THE RESEARCH ENTERPRISE, NIGMS PROVIDES LEADERSHIP IN SUPPORTING THE TRAINING OF THE NEXT GENERATION OF SCIENTISTS, ENHANCING THE DIVERSITY OF THE SCIENTIFIC WORKFORCE, AND DEVELOPING RESEARCH CAPACITY THROUGHOUT THE COUNTRY.

93.859 - Biomedical Research and Research Training

National Institute of General Medical Sciences (NIGMS) [HHS - NIH]

Illinois United States

State-Wide

Limited Competition: NIGMS National and Regional Resources (R24 - Clinical Trial Not Allowed) (PAR-19-301)

Amendment Since initial award the total obligations have increased 210% from $1,207,267 to $3,738,557.