Chemistry Experts

Pengyu Ren

Computational Life Sciences and Biology
Texas A and M University
United States of America


Dr.Pengyu Ren is working at Computational Life Sciences and Biology, University of Texas A & M, USA

Research Interest

High-performance computing with chemistry and physics to address biological and medical challenges from single molecules to the genome. Specific areas of research include protein-ligand interactions for drug discovery, RNA structure prediction and biomaterials design.


  • Jiao D, Zhang J, Duke RE, Li G, Schnieders MJ, Ren P. Trypsin‚Äźligand binding free energies from explicit and implicit solvent simulations with polarizable potential. Journal of computational chemistry. 2009 Aug 1;30(11):1701-11.

  • Mu X, Eckes KM, Nguyen MM, Suggs LJ, Ren P. Experimental and computational studies reveal an alternative supramolecular structure for Fmoc-dipeptide self-assembly. Biomacromolecules. 2012 Oct 19;13(11):3562-71.

  • Wu JC, Piquemal JP, Chaudret R, Reinhardt P, Ren P. Polarizable molecular dynamics simulation of Zn (II) in water using the AMOEBA force field. Journal of chemical theory and computation. 2010 Jun 11;6(7):2059-70.

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