# Center for Macromolecular Modeling and Bioinformatics

> **NIH NIH P41** · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · 2021 · $1,848,392

## Abstract

Project Summary / Abstract
The Biomedical Technology Research Resource for Macromolecular Modeling and Bioinformatics, hereafter referred
to simply as the “Center,” develops software tools to model cellular processes at both the atomic and coarse-
grained level. An experienced, multidisciplinary team of researchers at the Center provides for the biomedical
research community a “computational microscope” and collaborates with leading experimental laboratories. The
computational microscope, equipped with molecular visualization, sequence, structure and dynamics analysis
capabilities, presently consists of NAMD, VMD, and Lattice Microbes software programs that are free and open-
source. The Center will expand the use of its computational tools to a broad range of biomedical research problems
and provide easy access to these tools for the biomedical research community. In the next funding period, the
Center will pursue the following goals:
 · Raise performance, efficiency, and accuracy of simulations for cellular processes at long time and large length
scales;
 · Facilitate innovation in the biomedical research community by providing accessible simulation tools support-
 ing, in particular, advanced multi-copy enhanced sampling protocols, QM/MM, multi-resolution methods,
 coarse-grained models, stochastic simulations of large networks of biochemical reactions, Brownian dynamics,
 and whole cell simulations;
 · Lead the implementation of state of the art technologies in GPU, petascale, and pre-exascale computing into
 biomedical research at the molecular and cellular level;
 · Support visualization and analysis of biomolecular systems with powerful, customizable software packages,
 integrating multi-modal experimental imaging (e.g., cryo-electron microscopy and tomography, X-ray, NMR)
 and -omics data with model building and simulation tools;
 · Enhance performance for visualization, analysis, and modeling of large-size and long-timescale cellular pro-
 cesses by exploiting emerging technologies such as GPU acceleration, remote visualization, and non-volatile
memory;
 · Develop methods to model whole cell behavior and large cellular components such as membrane environments
 and chromatin;
 · Scale coarse-grained simulation methods to eukaryotic-sized cells;
 · Drive the development of novel computational tools and methods through collaborations with both theoretical
 and experimental laboratories;
 · Enhance service, training, and dissemination with the use of electronic text books and videos, providing a
 cutting edge computational laboratory, cloud computing resources, hands-on training, first-rate educational
 material, and an extensive, widely-used website to biomedical researchers.

## Key facts

- **NIH application ID:** 10163200
- **Project number:** 5P41GM104601-32
- **Recipient organization:** UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
- **Principal Investigator:** Emad Tajkhorshid
- **Activity code:** P41 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2021
- **Award amount:** $1,848,392
- **Award type:** 5
- **Project period:** 1997-08-01 → 2022-09-27

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10163200

## Citation

> US National Institutes of Health, RePORTER application 10163200, Center for Macromolecular Modeling and Bioinformatics (5P41GM104601-32). Retrieved via AI Analytics 2026-05-23 from https://api.ai-analytics.org/grant/nih/10163200. Licensed CC0.

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