CHARMM: The biomolecular simulation program von Brooks, B.R, Brooks, C.L. III, Mackerell, A.D. Jr, Nilsson, L, Petrella, R.J, Roux, B, Won, Y, Archontis, G, Bartels, C, Boresch, S, Caflisch, A, Caves, L, Cui, Q, Dinner, A.R, Feig, M, Fischer, S, Gao, J, Hodoscek, M, Im, W, Kuczera, K, Lazaridis, T, Ma, J, Ovchinnikov, V, Paci, E, Pastor, R.W, Post, C.B, Pu, J.Z, Schaefer, M, Tidor, B, Venable, R.M, Woodcock, H.L, Wu, X, Yang, W, York, D.M, Karplus, M

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Characterization of novel D-hordeins from Psathyrostachys juncea von Hu, X. K., Dai, S. F., Ouellet, T., Balcerzak, M., Rocheleau, H., Khanizadeh, S., Pu, Z. J., Yan, Z. H.

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Sulfonated carbon nanotubes synergistically enhanced the proton conductivity of sulfonated polyarylene ether nitriles von Feng, M. N, Pu, Z. J, Zheng, P. L, Jia, K, Liu, X. B

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Relationship between hybrid performance and genetic diversity based on RAPD markers in wheat, Triticum aestivum L von Liu, Z.Q, Pei, Y, Pu, Z.J

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Identification and molecular tagging of a stripe rust resistance gene in wheat line P81 von Pu, Z.J, Chen, G.Y, Wei, Y.M, Yang, W.Y, Yan, Z.H, Zheng, Y.L

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TaALMT1 promoter sequence compositions, acid tolerance, and Al tolerance in wheat cultivars and landraces from Sichuan in China von Han, C, Dai, S F, Liu, D C, Pu, Z J, Wei, Y M, Zheng, Y L, Wen, D J, Zhao, L, Yan, Z H

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Variation of Electrical Resistance and the Elastic Modulus of Shape Memory Alloys under Different Loading and Temperature Conditions von Carballo, M., Pu, Z. J., Wu, K. H.

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Effect of notches and microstructure on the fracture toughness of TiAl-based alloys von Pu, Z.J., Wu, K.H., Shi, J., Zou, D.

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Tests of second-generation and third-generation density functionals for thermochemical kinetics von YAN ZHAO, JINGZHI PU, LYNCH, Benjamin J, TRUHLAR, Donald G

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CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed von Hwang, Wonmuk, Austin, Steven L., Blondel, Arnaud, Boittier, Eric D., Boresch, Stefan, Buck, Matthias, Buckner, Joshua, Caflisch, Amedeo, Chang, Hao-Ting, Cheng, Xi, Choi, Yeol Kyo, Chu, Jhih-Wei, Crowley, Michael F., Cui, Qiang, Damjanovic, Ana, Deng, Yuqing, Devereux, Mike, Ding, Xinqiang, Feig, Michael F., Gao, Jiali, Glowacki, David R., Gonzales, James E., Hamaneh, Mehdi Bagerhi, Harder, Edward D., Hayes, Ryan L., Huang, Jing, Huang, Yandong, Hudson, Phillip S., Im, Wonpil, Islam, Shahidul M., Jiang, Wei, Jones, Michael R., Käser, Silvan, Kearns, Fiona L., Kern, Nathan R., Klauda, Jeffery B., Lazaridis, Themis, Lee, Jinhyuk, Lemkul, Justin A., Liu, Xiaorong, Luo, Yun, MacKerell, Alexander D., Major, Dan T., Meuwly, Markus, Nam, Kwangho, Nilsson, Lennart, Ovchinnikov, Victor, Paci, Emanuele, Park, Soohyung, Pastor, Richard W., Pittman, Amanda R., Post, Carol Beth, Prasad, Samarjeet, Pu, Jingzhi, Qi, Yifei, Rathinavelan, Thenmalarchelvi, Roe, Daniel R., Roux, Benoit, Rowley, Christopher N., Shen, Jana, Simmonett, Andrew C., Sodt, Alexander J., Töpfer, Kai, Upadhyay, Meenu, van der Vaart, Arjan, Vazquez-Salazar, Luis Itza, Venable, Richard M., Warrensford, Luke C., Woodcock, H. Lee, Wu, Yujin, Brooks, Charles L., Brooks, Bernard R., Karplus, Martin

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Comparison of interventional and surgical treatment of paravalvular leak after cardiac valve replacement von Pu, J Z, Wu, W H, Ke, Y T, Huang, L J, Ma, X H, Zhang, C

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Generalized Hybrid Orbital (GHO) Method for Combining Ab Initio Hartree−Fock Wave Functions with Molecular Mechanics von Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G

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Small Temperature Dependence of the Kinetic Isotope Effect for the Hydride Transfer Reaction Catalyzed by Escherichia coli Dihydrofolate Reductase von PU, Jingzhi, MA, Shuhua, GAO, Jiali, TRUHLAR, Donald G.

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Combining Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) with Molecular Mechanics by the Generalized Hybrid Orbital (GHO) Method von Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G

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Generalized Hybrid-Orbital Method for Combining Density Functional Theory with Molecular Mechanicals von Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G.

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Benchmark Calculations of Reaction Energies, Barrier Heights, and Transition-State Geometries for Hydrogen Abstraction from Methanol by a Hydrogen Atom von Pu, Jingzhi, Truhlar, Donald G

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Parametrized direct dynamics study of rate constants of H with CH4 from 250 to 2400 K von Pu, Jingzhi, Truhlar, Donald G.

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Benchmark Results for Hydrogen Atom Transfer between Carbon Centers and Validation of Electronic Structure Methods for Bond Energies and Barrier Heights von Dybala-Defratyka, Agnieszka, Paneth, Piotr, Pu, Jingzhi, Truhlar, Donald G

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Nonperfect Synchronization of Reaction Center Rehybridization in the Transition State of the Hydride Transfer Catalyzed by Dihydrofolate Reductase von Pu, Jingzhi, Ma, Shuhua, Garcia-Viloca, Mireia, Gao, Jiali, Truhlar, Donald G, Kohen, Amnon

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Test of variational transition state theory with multidimensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system von Pu, Jingzhi, Corchado, José C., Truhlar, Donald G.

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