Yue Shi

From in Silico Discovery to intra-Cellular Activity: Targeting JNK-Protein Interactions with Small Molecules.

Pengyu Ren, Kevin N Dalby, Pengyu Y. Ren, 2012, ACS medicinal chemistry letters.

Polarizable Force Fields for Scoring Protein–Ligand Interactions

Jiajing Zhang, Pengyu Ren, Pengyu Y. Ren, 2012 .

RNA 3D structure prediction by using a coarse-grained model and experimental data.

Pengyu Ren, Pengyu Y. Ren, David R. Bell, 2013, The journal of physical chemistry. B.

Trypsin-ligand binding free energy calculation with AMOEBA

Dian Jiao, Pengyu Ren, Michael J. Schnieders, 2009, 2009 Annual International Conference of the IEEE Engineering in Medicine and Biology Society.

The Structure, Thermodynamics and Solubility of Organic Crystals from Simulation with a Polarizable Force Field.

Wei Yang, Jonas Baltrusaitis, Lianqing Zheng, 2012, Journal of chemical theory and computation.

Molecular docking simulations for macromolecularly imprinted polymers.

Nicholas A Peppas, Pengyu Ren, David R Kryscio, 2011, Industrial & engineering chemistry research.

Probing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations.

Pengyu Ren, Pengyu Y. Ren, Yue Shi, 2012, The journal of physical chemistry. B.