l  Guillaume Stirnemann, Seung-Gu Kang, Ruhong Zhou*, and B. J. Berne*,How Force Unfolding Differs from Chemical Denaturation, Proc. Natl. Acad. Sci.111, 3413-3418, 2014

l  B. Song*, Q. Sun, H. Li, B. S. Ge, J. S. Pan, A. T. S. Wee, Ruhong Zhou, X. Y. Gao*, F. Huang*, and H. P. Fang, Irreversible Denaturation of Proteins due to Aluminum-induced Formation of Ring Structures, Angew. Chem. Intl. Ed., 53, 6358-6363, 2014

l  Camilo A. Jimenez-Cruz, Seung-gu Kang, and Ruhong Zhou*, Large Scale Molecular Simulations of Nanotoxicity,WIREs Sys. Biol. Med., 6, 329-343, 2014

l  Ruhong Zhou*and H. J. Gao*, Cytotoxicity of Graphene: Recent Advances and Future PerspectiveNanotoxicity,WIREs Nanomed. Nanobiotech. 6, 452-474, 2014

l  Z. X. Yang^#, S. G. Kang^#, and Ruhong Zhou, Nanomedicine: De Novo Design of Nanodrugs,Nanoscale 6, 663-677, 2014

l  Z. X. Yang^#, Z. Xia^#, T. Huynh, J. A. King, and Ruhong Zhou*, Dissecting the contributions of b-hairpin tyrosine pair to the folding and stability of long-lived human gD-crystallins,Nanoscale 6, 1797-1807, 2014

l  C. Guo, Y. Luo, Ruhong Zhou*, and G. H. Wei*, Triphenylalanine peptides self-assemble into nanospheres and nanorods that are different from the nanovesicles and nanotubes formed by diphenylalanine peptides, Nanoscale, 6, 2800-2811, 2014

l  W. Li, L. Nordenski, Ruhong Zhou*, and Y. G. Mu*, Conformation-dependent DNA Attraction, Nanoscale, 6, 7085-7092, 2014

l  Binquan Luan*, Bo Zhou, Tien Huynh, and Ruhong Zhou*, Controlled Transport of DNA through a Y-shaped Carbon Nanotube in a Solid Membrane, Nanoscale, 6, 11479-11483, 2014

l  Jian Gao, Liming Wang, Seung-gu Kang, Lina Zhao, Mingjuan Ji*, Chunying Chen, Yuliang Zhao, Ruhong Zhou, and Jingyuan Li*, Size-Dependent Impact of CNT on Dynamical Properties of Calmodulin, Nanoscale, 6, 12828-12837, 2014

l  Yuanzhao Zhang^#, Camilo A. Jimenez-Cruz^#, Jian Wang, Bo Zhou*, Zaixing Yang and Ruhong Zhou*, Bio-mimicking of Proline-Rich Motif Applied to Carbon Nanotube Reveals Unexpected Subtleties Underlying Nanoparticle Functionalization, Sci. Rep. 4, 7229, 2014

l  Z. Xia^#, H. B. Chen^#, S. G. Kang, T. Huynh, J. W. Fang, P. A. Lamothe,B. D. Walker*, and Ruhong Zhou*, The complex and specific pMHC interactions with diverse HIV-1 TCR clonotypes reveal a structural basis for alterations in CTL function, Sci. Rep. 4, 4087, 2014

l  Seung-gu Kang, Raul Araya-Secchi, Deqiang Wang, Bo Wang, Tien Huynh, Ruhong Zhou*, Dual Inhibitory Pathways of Metallofullerenol Gd@C82(OH)22 on Matrix Metalloproteinase-2: Molecular insight into drug-like nanomedicine, Sci. Rep. 4, 4775, 2014

l   J. Y. Li*, X. F. Wang, X. F. Gao, Y. L. Zhao*and Ruhong Zhou*, Rotation Motion of Designed Nano-Turbine,Sci. Rep. 4, 5846, 2014

l  Yang Gao, Xing Dai, Seung-gu Kang, Camilo A. Jimenez-Cruz, Minsi Xin, Yan Meng, Jie Han, Zhigang Wang*, and Ruhong Zhou*,Structural and electronic properties of uranium-encapsulated Au14 cage, Sci. Rep. 4, 5862, 2014

l  X. H. Huang, Ruhong Zhou, and B. J. Berne,Introduction to Molecular Dynamics and Enhanced Sampling Algorithms,in Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology (Editor Ruhong Zhou), CRC Press, Taylor & Francis, ISBN-10: 1466562951 | ISBN-13: 978-1466562950, 2014 

l   S. G. Kang and Ruhong Zhou, Protein and Nanoparticle Interactions: Perspectives of Nanomedicine and Nanotoxicity, in Molecular Modeling at the Atomic Scale:Methods and Applications in Quantitative Biology (Editor Ruhong Zhou), CRC Press, Taylor & Francis, ISBN-10: 1466562951 | ISBN-13: 978-1466562950, 2014 

l  Yuxing Peng, Zhen Cao, Ruhong Zhou, and Gregory A. Voth*,Path Integral Coarse-graining Replica Exchange Method for Enhanced Sampling, J. Comp. Theo. Chem., 10, 3634-3640, 2014

l  Z. W. Cai^#, J. Q. Li^#, C. J. Yin, Z. X. Yang*, J. L. Wu*, andRuhong Zhou, Effect of Urea Concentration on Aggregation of Amyloidogenic Hexapeptides (NFGAIL), J. Phys. Chem. B 118, 48-57, 2014

l  Seung-gu Kang, Payel Das, Scott J. McGrane, Alan J. Martin, Tien Huynh, Ajay K. Royyuru, Andrew J. Taylor, Paul G. Jones,Ruhong Zhou*,Molecular Recognition of Metabotropic Glutamate Receptor Type 1 (mGluR1): Synergistic Understanding with Free Energy Perturbation and Linear Response Modeling, J. Phys. Chem. B 118, 6393−6404, 2014

l  Xiankai Jiang, Jun Gao, Tien Huynh, Ping Huai, Chunhai Fan, Ruhong Zhou*, and Bo Song*, An Improved DNA Force Field for ssDNA Interactions with Gold Nanoparticles, J. Chem. Phys. 140, 234102, 2014

l  Jiajia Liu^#, Zaixing Yang^#, Haotian Li, Zonglin Gu, Jose A. Garate, and Ruhong Zhou*, Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene, J. Chem. Phys. 141, 22D520, 2014

l  Xing Dai, Yang Gao, Minsi Xin, Zhigang Wang*,Ruhong Zhou*, The ground state and electronic structure of Gd@C82: A systematic theoretical investigation of first principle density functionals, J. Chem. Phys. 141, 244306, 2014

l  Raul Araya-Secchi^#*, Tomas Perez-Acle^#, Seung-gu Kang, Tien Huynh, Alejandro Bernardin, Agustin D. Martinez, Juan C. Saez, Ruhong Zhou*, Characterization of a novel water pocket inside the human Cx26 hemi-channel structure, Biophys J. 106, 599-609, 2014

l  Y. Meng, P. Xiu, B. L. Huang, Z. G. Wang*, R. Q. Zhang*and R. H. Zhou*, A unique feature of chiral transition of a difluorobenzo[c]phenanthrene molecule confined in a boron-nitride nanotube based on molecular dynamics simulations, Chem. Phys. Lett. 591, 265-267, 2014 

l  Yang Gao^#, Bo Zhou^#, Seung-gu Kang, Minsi Xin, Ping Yang, Xing Dai, Zhigang Wang*, and R.H. Zhou*, Effect of Ligands on Characteristics of (CdSe)13 Quantum Dot, RSC Advances, 4, 27146-27151, 2014

l  Minsi Xin, Xing Dai, Jie Han, Mingxing Jin, Camilo A. Jimenez-Cruz, Dajun Ding, Zhigang Wang* ,and Ruhong Zhou*, Carbon nanotubes adsorb U atoms differently in their inner and outer surfaces, RSC Advances, 4, 30074-30080, 2014

l  Z. Xia and Ruhong Zhou, Protein and Nucleic Acid Interactions with Molecular Dynamics Simulations,in MOLECULAR MODELING AT THE ATOMIC SCALE: Methods and Applications in Quantitative Biology (Editor Ruhong Zhou), ISBN-10: 1466562951 | ISBN-13: 978-1466562950, 2014 

l  Ruhong Zhou, Biological Water under Confinement: Nanoscale Dewetting, in MOLECULAR MODELING AT THE ATOMIC SCALE: Methods and Applications in Quantitative Biology (Editor Ruhong Zhou), ISBN-10: 1466562951 | ISBN-13: 978-1466562950, 2014