Full Professor(heuristic)

Computational Drug Discovery Methods · Computational Theory and Mathematics

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h-index83
i10-index271
Publications581
Citations34,501

Grants

17 total · 1 active

NIH #U24ES035214

Supporting Biomedical Discovery with the ROBOKOP Graph Knowledgebase.

Active
Amount
$800K–$900K
Period
2022-09-05 → 2027-06-30
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R01GM140154

Enabling the Accelerated Discovery of Novel Chemical Probes by Integration of Crystallographic, Computational, and Synthetic Chemistry Approaches

Amount
$500K–$600K
Period
2021-05-01 → 2025-04-30
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R41ES033857

Artificial Intelligence Toolkit for Predicting Mixture Toxicity

Amount
$200K–$300K
Period
2021-12-20 → 2023-11-30
PIs
1

Awarded at PREDICTIVE, LLC

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All Grants

17 total · 1 active

NIH #U24ES035214

Supporting Biomedical Discovery with the ROBOKOP Graph Knowledgebase.

Active
Amount
$800K–$900K
Period
2022-09-05 → 2027-06-30
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R01GM140154

Enabling the Accelerated Discovery of Novel Chemical Probes by Integration of Crystallographic, Computational, and Synthetic Chemistry Approaches

Amount
$500K–$600K
Period
2021-05-01 → 2025-04-30
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R41ES033857

Artificial Intelligence Toolkit for Predicting Mixture Toxicity

Amount
$200K–$300K
Period
2021-12-20 → 2023-11-30
PIs
1

Awarded at PREDICTIVE, LLC

NIH #R41ES033589

STopTox: A comprehensive in silico platform for predicting systemic and topical toxicity

Amount
$200K–$300K
Period
2021-08-13 → 2023-03-31
PIs
1

Awarded at PREDICTIVE, LLC

NIH #OT2TR003441

ARAGORN: Autonomous Relay Agent for Generation Of Ranked Networks

Amount
$1M–$2M
Period
2020-01-23 → 2022-01-22
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R56AG059428

Drug repurposing for Alzheimer's disease using both observational and chemical genomics data

Amount
$700K–$800K
Period
2018-08-15 → 2021-07-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #OT2TR002514

Biomedical Data Translator Technical Feasibility Assessment of Reasoning Tool: University of North Carolina at Chapel Hill

Amount
$1M–$2M
Period
2018-01-05 → 2020-12-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #U01CA207160

Drug Repurposing for Cancer Therapy: From Man to Molecules to Man

Amount
$400K–$500K
Period
2016-09-01 → 2019-08-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #OT3TR002020

Biomedical Data Translator Technical Feasibility Assessment and Architecture Design

Amount
$1M–$2M
Period
2016-09-24 → 2018-04-30
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NSF #1147145

ABI Innovation: Synergistic application of cheminformatics and computational geometry approaches for predicting protein-protein interactions

Amount
$800K–$900K
Period
2012-08-01 → 2016-09-30
PIs
3

NIH #R01GM096967

Chembench: the Integrated Web Portal to Accelerate Cheminformatics and Chemical G

Amount
$200K–$300K
Period
2012-09-01 → 2016-08-31
PIs
2

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R01GM066940

PREDICTIVE QSAR MODELING

Amount
$700K–$800K
Period
2009-09-30 → 2011-08-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R01GM068665

Protein Structure/Function Specific Packing Motifs

Amount
$200K–$300K
Period
2006-08-01 → 2010-07-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #T32GM067553

UNC Predoc Training Progr in Bioinformatics/Comp Biology

Amount
$100K–$200K
Period
2005-07-01 → 2010-06-30
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #R21GM076059

Robust computational framework for predictive ADME-Tox modeling

Amount
$300K–$400K
Period
2006-06-01 → 2009-05-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NIH #P20HG003898

Carolina Exploratory Ctr:Cheminformatics Research(RMI)

Amount
$300K–$400K
Period
2005-09-23 → 2007-07-31
PIs
1

Awarded at UNIV OF NORTH CAROLINA CHAPEL HILL

NSF #0112896

ITR/AP: Computational Analysis of Proteins: From Structure to Sequence to Function

Amount
$300K–$400K
Period
2001-10-01 → 2004-09-30
PIs
1

Recent Public Signals

  1. New preprint: CACHE Challenge #4: Targeting the TKB Domain of the E3 ligase CBLB, an Immuno-Oncology Target2026-07-08
  2. New paper: Every Cure Knowledge Graph, a Unified Biomedical Knowledge Graph for Drug Repurposing (Zenodo (CERN European Organization for Nuclear Research))2026-06-23
  3. New NIH award: Supporting Biomedical Discovery with the ROBOKOP Graph Knowledgebase.2022-09-05

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Data Freshness

  • Publications as of 2026-07-09
  • Grants as of 2026-09-03

Data may not be current

Find elsewhere

Institution / lab homepage Search on ResearchGate

ORCID: 0000-0003-3802-8896

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