Mary Hongying Cheng

Mary Cheng, Ph.D.
Research Assistant Professor

Ph.D. Chemical Engineering, Rensselaer Polytechnic Institute

3501 Fifth Avenue
Pittsburgh, PA 15260

Phone: 412-648-9614

Research Summary

I have modeling experience in a wide range of ion channels/transporters, including several types of sodium coupled neurotransmitter transporters, neurotransmitter-gated ion channels, CLC channels/transporters, and gap junction Claudin-2. My research interest and expertise lie in protein modeling and medicinal chemistry, focusing on molecular mechanisms of i) transporter functions, i.e., transporter cycle; ii) ion transport through membrane protein channels, i.e. channel conductance and charge selectivity; iii) drug modulation of protein receptors, i.e. ligand binding sites and binding affinity; and iv) protein-lipid and lipid-lipid interactions. I am particularly interested in development/implement of multi-scale modeling technology to investigate biological systems at both molecular and cellular levels. I developed a hybrid molecular dynamics/Brownian dynamics methodology that can be applied to investigate ion permeation through membrane protein channels.

Recent Publications

Gur M, Zomot E, Cheng MH, Bahar I (2015) Energy landscape of LeuT from molecular simulations J Chem Phys 143(24):243134.

Jun I, Cheng MH, Sim E, Jung J, Suh BL, Kim Y, Son H, Park K, Kim CH, Yoon JH, Whitcomb DC, Bahar I, Lee MG (2015) Pore dilation increases the bicarbonate permeability of CFTR, ANO1, and glycine receptor anion channels J Physiol. [Epub ahead of print]

Cheng MH, Bahar I (2015) Molecular Mechanism of Dopamine Transport by Human Dopamine Transporter Structure. [Epub ahead of print].