top of page


G. Su, A. Czader, D. Homouz, G. Bernardes, S. Mateen, M.S.Cheung, "Multiscale simulation on a light-harvesting molecular triad", J. Phys. Chem. B. 116, 8460–8473 (2012). Special issue on Macromolecular Systems Understood through Multiscale and Enhanced Sampling Techniques. DOI: 10.1021/jp212273n

This article was featured by the Texas Advanced Computing Center:

This article was featured by the National Energy Research Scientific Computing Center.

Q. Wang, M.S.Cheung, “A physics-based approach of coarse-graining the cytoplasm of E. coli (CGCYTO)”. Biophys. J. 102. 2353-2361 (2012).

A. Kudlay, M. S. Cheung, D. Thirumalai, "Influence of the Shape of Crowding Particles on the Structural Transitions in a Polymer", J. Phys. Chem. B. 116, 8513–8522 (2012). Special issue on Macromolecular Systems Understood through Multiscale and Enhanced Sampling Techniques.

E. Chen, A. Christiansen, Q. Wang, M.S.Cheung, D.S. Kliger, P. Wittung-Stafshede, "Crowd control and the effects of macromolecular crowding on burst phase kinetics of cytochrome c folding", Biochemistry 51, 9836-9845 (2012)

A. Christiansen, Q. Wang, M. S. Cheung, P. Wittung-Stafshede, "Macromolecular crowding effects on protein folding in vitro and in silico", Biophysical Reviews 5 137-145 (2013).

M. S. Cheung, "Where soft matter meets living matter -- Protein structure, stability, and folding in the cell", Current Opinion in Structural Biology, 23, 212-217 (2013)

D. Balamurugan, A. J. A. Aquino, F. De Dios, L. Flores Jr., H. Lischka, M. S. Cheung, "Multiscale simulation of the ground and photo-induced charge-separated states of molecular triad in polar organic solvent: exploring the conformations, fluctuations and the free energy landscapes", Journal of Physical Chemistry, B, 117, 12065-12075 (2013).

Q. Wang, P. Zhang, S. Tripathi, L. Hoffman, L. Yin, M. N. Waxham, M. S. Cheung, "Protein recognition and selection through conformational and mutually induced fit", Proc. Natl. Acad. Sci. U. S. A., 110, 20545-20550 (2013). Highlighted by Nature Middle East

S. Tripathi, Q. Wang, P. Zhang, L. Hoffman, M.N. Waxham, M. S. Cheung, "Conformational frustration in calmodulin-target recognition", Journal of Molecular Recognition 28, 74-86 (2015).

A. K. Manna, D. Balamurugan, M. S. Cheung, B. D. Dunietz, “Unraveling the mechanism of photo-induced charge-transfer in carotenoid-porphyrin-C60 molecular triad”, Journal of Physical Chemistry Letters, 6, 1231-1237 (2015).

S. Tripathi, M. N. Waxham, M. S. Cheung, Y. Liu, "Lessons in protein design from combined evolution and conformational dynamics", Scientific Reports, 5, 14259 (2015).

L. Hoffman, X. Wang, H. Sanabria, M. S. Cheung, J. Putkey, M. N. Waxham, "Relative cosolute size influences the kinetics of protein-protein interactions", Biophysical Journal, 109,510-520 (2015).

M.Y. Tsai, W. Zheng, D. Balamurugan, N.P. Schafer, B.L. Kim, M.S. Cheung, P.G. Wolynes, "Electrostatics, structure prediction and the energy landscapes for protein folding and binding", Protein Science 25, 255-269 (2016)

S. Tripathi, L. Belkacemi, M. S. Cheung, R. N. Bose, "Correlation between gene variants, signaling pathways and efficacy of chemotherapy drugs against colon cancers", Cancer Informatics, 15, 1-13 (2016).

P. Zhang, S. Tripathi, H. Trinh, M. S. Cheung, "Opposing intermolecular tuning of Ca2+ affinity for calmoduin by Neurogranin and CaMKII peptides", Biophysical Journal. 112, 1105–1119 (2017). Cover Art

O.N. Starovoytov, P. Zhang, P. Cieplak, M.S. Cheung, "Induced Polarization Restricts Conformational Distribution of a Light-Harvesting Molecular Triad in the Ground State", Phys. Chem. Chem. Phys. 19, 22969-22980 (2017).

Q. Wang, M.R. Diehl, B. Jana, M.S. Cheung, A.B. Kolomeisky, J.N. Onuchic, "Molecular origin of the weak susceptibility of kinsein velocity to loads and its relation to the collective behavior of kinesins", Proc. Natl. Acad. Sci. 114, E8611-E8617 (2017).

bottom of page