Pengyu Ren
Assistant Professor |
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Pengyu Ren
Assistant Professor
- Department of Biomedical Engineering
BME 5.202M
The University of Texas at Austin
1 University Station, C0800
Austin, Texas 78712-1062
Phone: (512) 232-1832
- Lab Website
Research Focus
Our lab's research is focused on molecular modeling of biological systems for pharmaceutical and biomedical applications. Computational biology and molecular modeling that integrate our knowledge in computer science, chemistry, physics and biology allow us to understand the fundamental molecular driving forces in chemistry and biology, such as molecular recognition and protein structure-function relationship. With accurate in silico prediction of molecular interactions, we seek to engineer novel molecules, from small organic molecules to protein mimetics, with controlled structure and function for therapeutic and diagnostic purposes.
Research Interests
- Computational drug discovery.
- Multiscale physical modeling of proteins and nucleic acids.
- Structure and function of protein-mimetics and biomaterials.
- See lab website for details
Selected References
- D. Jiao, P. Golubkov, T. Darden, and P. Ren, Calculation of
Protein-Ligand Binding
Free Energy Using a Polarizable Potential, Proc
Natl Acad Sci, in press (2008
- P.
A. Golubkov, J. C. Wu and P.
Ren, A transferable coarse-grained
model for hydrogen-bonding
liquids, Phys. Chem. Chem. Phys.
(2008) DOI: 10.1039/b715841f
- Jiajing
Zhang, Michael King, Laura Suggs,
and Pengyu Ren, Molecular Modeling
of Conformational Properties
of Oligodepsipeptides, Biomacromolecules,
2007 8, 3015-3024 (2007)
- Michael
Schnieders, N. Baker, P. Ren, J.W. Ponder, Polarizable Atomic
Multipole Solutes in a Poisson-Boltzmann Continuum J. Chem.
Phys. 126, 124114 (2007)
- P.
Golubkov, P. Ren, A generalized Coarse-Grain Model Based on Gay-Berne
Function and Point Multipole
Expansion, J. Chem. Phys. 125,
054511 (2006)
- D.
Jiao, C. King, A. Grossfield,
T. Darden and P. Ren, Simulation
of Mg2+ and Ca2+ Solvation
using Polarizable Atomic Multipole Model, J.
Phys. Chem. B. 110(37); 18553-18559 (2006)
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