# Computational Core

> **NIH NIH P20** · UNIVERSITY OF KENTUCKY · 2020 · $98,394

## Abstract

PROJECT SUMMARY/ABSTRACT – COMPUTATIONAL CORE
We propose to establish a Center of Biomedical Research Excellence (COBRE) in Pharmaceutical Research
and Innovation at the University of Kentucky (UK). CPRI will serve as a comprehensive multidisciplinary center
focused on translational chemical biology [the nexus of chemical biology (the application of chemical biology
principles to develop validated probe/models to advance our understanding of biology) and pharmaceutical
science (the application of pharmaceutical principles to advance leads/materials/devices that address unmet
clinical needs)]. The COBRE will leverage and develop unique translational chemical biology research support
infrastructure/expertise to facilitate junior faculty mentorship and career development, innovative biomedical
research probe/tool/model/materials development and validation, and the early advancement of potential
‘translatable’ assets. Within this context, the CPRI Computational Core, directed by Dr. Chang-Guo Zhan, will
leverage unique computational expertise, commercial and in-house software/methods, and UK’s formidable
computational processing network to support a range of computational services to advance COBRE project and
pilot objectives. The Core will provide services individually tailored to project/pilot needs that facilitate the
development of new hypotheses/models and streamline the prioritization of experimental studies. Specifically,
the Core will enable molecular modeling/simulation of macromolecular targets and target-ligand complexes,
ADMET prediction studies, structure-based virtual screening for ligand discovery, de novo ligand design, and
artificial intelligence-based methods. This suite of services has been strategically designed to integrate with, and
complement, the support provided by the CPRI Translational Core and the CPRI-affiliated COBRE for Molecular
Medicine Organic Synthesis Core. Together, CPRI’s corresponding fully integrated suite of research support
capabilities and expertise will accelerate innovative preclinical translational research and facilitate junior
investigator career development.

## Key facts

- **NIH application ID:** 9854237
- **Project number:** 1P20GM130456-01A1
- **Recipient organization:** UNIVERSITY OF KENTUCKY
- **Principal Investigator:** CHANG-GUO ZHAN
- **Activity code:** P20 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2020
- **Award amount:** $98,394
- **Award type:** 1
- **Project period:** 2020-03-01 → 2025-01-31

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/9854237

## Citation

> US National Institutes of Health, RePORTER application 9854237, Computational Core (1P20GM130456-01A1). Retrieved via AI Analytics 2026-05-22 from https://api.ai-analytics.org/grant/nih/9854237. Licensed CC0.

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