Computer modeling of enzymes that copy and repair DNA
Computational Simulations of DNA Transaction Enzymes - Application and Development
['FUNDING_OTHER'] · UNIVERSITY OF TEXAS DALLAS · NIH-11336797
This project develops improved computer models of the enzymes that copy, repair, and modify DNA to help people affected by genetic diseases and cancer.
Quick facts
| Phase | ['FUNDING_OTHER'] |
|---|---|
| Study type | Nih_funding |
| Sex | All |
| Sponsor | UNIVERSITY OF TEXAS DALLAS (nih funded) |
| Locations | 1 site (RICHARDSON, UNITED STATES) |
| Trial ID | NIH-11336797 on ClinicalTrials.gov |
What this research studies
Researchers use detailed atom-level computer simulations and hybrid quantum/mechanical methods to model how DNA transaction enzymes work and how mutations change their behavior. They will continue developing LICHEM, a software tool that links quantum chemistry programs with advanced force fields to better represent the cellular environment. The team will apply and test these improved models on enzymes that synthesize, repair, and modify DNA to predict how changes lead to errors. Results are intended to guide laboratory experiments and point toward future diagnostics or treatments.
Who could benefit from this research
Good fit: This project does not enroll patients, but its findings are most relevant to people with inherited DNA-repair disorders or cancers driven by DNA-replication errors and could inform future related clinical studies.
Not a fit: People with conditions unrelated to DNA maintenance or mutation are unlikely to directly benefit in the near term.
Why it matters
Potential benefit: If successful, this work could clarify how DNA errors arise and reveal new diagnostic markers or drug targets for genetic disorders and cancer.
How similar studies have performed: Related molecular dynamics and QM/MM simulation work has previously helped explain enzyme mechanisms, though improving accuracy and software integration remains an active research need.
Where this research is happening
RICHARDSON, UNITED STATES
- UNIVERSITY OF TEXAS DALLAS — RICHARDSON, UNITED STATES (ACTIVE)
Researchers
- Principal investigator: CISNEROS, GERARDO ANDRES — UNIVERSITY OF TEXAS DALLAS
- Study coordinator: CISNEROS, GERARDO ANDRES
About this research
- This is an active NIH-funded research project — typically early-stage science, not a clinical trial accepting patient enrollment.
- Some NIH-funded labs run parallel clinical studies or seek volunteers for related work. To check, contact the principal investigator or institution listed above.
- For full project details, budget, and progress reports, visit the official NIH RePORTER page below.