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Ab initio molecular dynamics simulations
Tuckerman, M. E., Ungar, P. J., Von Rosenvinge, T. & Klein, M. L., Aug 1 1996, In: Journal of physical chemistry. 100, 31, p. 12878-12887 10 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics simulations investigating proton transfer in perfluorosulfonic acid functionalized carbon nanotubes
Habenicht, B. F., Paddison, S. J. & Tuckerman, M. E., Aug 21 2010, In: Physical Chemistry Chemical Physics. 12, 31, p. 8728-8732 5 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics simulations of molecular crystals
Tuckerman, M. E., von Rosenvinge, T. & Klein, M. L., 1996, In: Materials Research Society Symposium - Proceedings. 408, p. 477-488 12 p.Research output: Contribution to journal › Conference article › peer-review
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Ab Initio Molecular Dynamics Studies of Conjugated Dienes on Semiconductor Surfaces
Tuckerman, M. E. & Zhang, Y., Mar 20 2012, Functionalization of Semiconductor Surfaces. John Wiley and Sons, p. 233-276 44 p.Research output: Chapter in Book/Report/Conference proceeding › Chapter
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Ab initio molecular dynamics studies of the liquid-vapor interface of an HC1 solution
Lee, H. S. & Tuckerman, M. E., Mar 12 2009, In: Journal of Physical Chemistry A. 113, 10, p. 2144-2151 8 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics study of crystal hydrates of HCl including path integral results
Von Rosenvinge, T., Tuckerman, M. E. & Klein, M. L., 1997, In: Faraday discussions. 106, p. 273-289 17 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics study of crystalline nitric acid trihydrate
Sullivan, D. M., Bagchi, K., Tuckerman, M. E. & Klein, M. L., Oct 28 1999, In: Journal of Physical Chemistry A. 103, 43, p. 8678-8683 6 p.Research output: Contribution to journal › Article › peer-review
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Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes
Zelovich, T., Long, Z., Hickner, M., Paddison, S. J., Bae, C. & Tuckerman, M. E., Feb 28 2019, In: Journal of Physical Chemistry C. 123, 8, p. 4638-4653 16 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics study of proton mobility in liquid methanol
Morrone, J. A. & Tuckerman, M. E., Sep 1 2002, In: Journal of Chemical Physics. 117, 9, p. 4403-4413 11 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics study of solid nitromethane
Tuckerman, M. E. & Klein, M. L., Feb 6 1998, In: Chemical Physics Letters. 283, 3-4, p. 147-151 5 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics study of the aqueous HOO- ion
Ma, Z., Anick, D. & Tuckerman, M. E., Jul 17 2014, In: Journal of Physical Chemistry B. 118, 28, p. 7937-7945 9 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion corrections.
Ma, Z., Zhang, Y. & Tuckerman, M. E., Jul 28 2012, In: The Journal of Chemical Physics. 137, 4, 1 p.Research output: Contribution to journal › Article › peer-review
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Ab initio molecular dynamics with discrete variable representation basis sets: Techniques and application to liquid water
Lee, H. S. & Tuckerman, M. E., Apr 27 2006, In: Journal of Physical Chemistry A. 110, 16, p. 5549-5560 12 p.Research output: Contribution to journal › Article › peer-review
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Ab initio protein structure prediction: Progress and prospects
Bonneau, R. & Baker, D., 2001, In: Annual Review of Biophysics and Biomolecular Structure. 30, p. 173-189 17 p.Research output: Contribution to journal › Review article › peer-review
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Ab initio protein structure prediction of CASP III targets using ROSETTA
Simons, K. T., Bonneau, R., Ruczinski, I. & Baker, D., 1999, In: Proteins: Structure, Function and Genetics. 37, SUPPL. 3, p. 171-176 6 p.Research output: Contribution to journal › Article › peer-review
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Ab initio qm/mm and free energy calculations of enzyme reactions
Zhang, Y., Liu, H. & Yang, W., 2002, Computational methods for macromolecules: Challenges and applications. Schlick, T. & Gan, H. H. (eds.). Springer Verlag, p. 332-354Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed) › peer-review
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Ab initio QM/MM free energy simulations of peptide bond formation in the ribosome support an eight-membered ring reaction mechanism
Xu, J., Zhang, J. Z. H. & Xiang, Y., Oct 3 2012, In: Journal of the American Chemical Society. 134, 39, p. 16424-16429 6 p.Research output: Contribution to journal › Article › peer-review
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Ab initio QM/MM free-energy studies of arginine deiminase catalysis: The protonation state of the Cys nucleophile
Ke, Z., Guo, H., Xie, D., Wang, S. & Zhang, Y., Apr 7 2011, In: Journal of Physical Chemistry B. 115, 13, p. 3725-3733 9 p.Research output: Contribution to journal › Article › peer-review
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Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase
Cisneros, G. A., Liu, H., Zhang, Y. & Yang, W., Aug 27 2003, In: Journal of the American Chemical Society. 125, 34, p. 10384-10393 10 p.Research output: Contribution to journal › Article › peer-review
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Ab initio quantum dynamics study of rotationally inelastic scattering of glycine by hydrogen atom
Zhang, D. W., Wang, M. L. & Zhang, J. Z. H., Feb 8 2003, In: Journal of Chemical Physics. 118, 6, p. 2716-2722 7 p.Research output: Contribution to journal › Article › peer-review
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Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: The case of histone lysine methyltransferase SET7/9
Wang, S., Hu, P. & Zhang, Y., Apr 12 2007, In: Journal of Physical Chemistry B. 111, 14, p. 3758-3764 7 p.Research output: Contribution to journal › Article › peer-review
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Ab initio quantum mechanical/molecular mechanical studies of histone modifying enzymes
Zhang, Y., 2009, Multi-scale quantum models for biocatalysis: Modern techniques and applications. York, D. M. & Lee, T-S. (eds.). New York: Springer Verlag, p. 341-350Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed) › peer-review
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Ab initio Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation of CO in the Heme Distal Pocket of Myoglobin
Wang, X. W., Zhang, J. Z. H. & He, X., Dec 27 2017, In: Chinese Journal of Chemical Physics. 30, 6, p. 705-716 12 p.Research output: Contribution to journal › Article › peer-review
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Abinitio relax: https://www.rosettacommons.org/docs/latest/application_documentation/structure_prediction/abinitio-relax
Bonneau, R. & al., 2014Research output: Other contribution
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Ab initio simulations of water and water ions
Tuckerman, M. E., Laasonen, K., Sprik, M. & Parrinello, M., 1994, In: Journal of Physics: Condensed Matter. 6, 23A, p. A93-A100 010.Research output: Contribution to journal › Article › peer-review
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Ab initio SOFA quantum dynamics for chemical reaction
Zhang, D. H., Wang, D. Y., Peng, T. & Zhang, J. Z. H., Jul 9 1999, In: Chemical Physics Letters. 307, 5-6, p. 453-462 10 p.Research output: Contribution to journal › Article › peer-review
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A binocular fiberscope for presenting visual stimuli during fMRI
Cornelissen, F. W., Pelli, D. G., Farell, B., Huckins, S. C. & Szeverenyi, N. M., 1997, In: Spatial Vision. 11, 1, p. 75-81 7 p.Research output: Contribution to journal › Article › peer-review
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A bioecocultural approach to supporting adolescent mothers and their young children in conflict-affected contexts
Wuermli, A., Yoshikawa, H. & Hastings, P. D., Feb 1 2021, (E-pub ahead of print) In: Development and Psychopathology.Research output: Contribution to journal › Review article › peer-review
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A biofeedback interactive boxing system for optimal performance
Mei, C. J., Thomas, C. M. & Eid, M., 2014, 2014 IEEE International Instrumentation and Measurement Technology Conference: Instrumentation and Measurement for Sustainable Development, I2MTC 2014 - Proceedings. Institute of Electrical and Electronics Engineers Inc., p. 5-9 5 p. 6860511. (Conference Record - IEEE Instrumentation and Measurement Technology Conference).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
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A biofeedback system for sleep management
Hamdan, S., Al Osman, H., Eid, M. & El Saddik, A., 2012, 2012 IEEE International Symposium on Robotic and Sensors Environments, ROSE 2012 - Proceedings. p. 133-137 5 p. 6402603. (2012 IEEE International Symposium on Robotic and Sensors Environments, ROSE 2012 - Proceedings).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
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A bioinformational systems perspective on tobacco dependence
NIAURA, RAYMOND., GOLDSTEIN, MICHAEL. & ABRAMS, DAVID., May 1991, In: British Journal of Addiction. 86, 5, p. 593-597 5 p.Research output: Contribution to journal › Article › peer-review
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A biological window on psychological development
Gariépy, J. L. & Blair, C., Jan 2008, In: Developmental Psychobiology. 50, 1, p. 1-3 3 p.Research output: Contribution to journal › Article › peer-review
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A Biomimetic Synthesis Elucidates the Origin of Preuisolactone A
Novak, A. J. E., Grigglestone, C. E. & Trauner, D., Oct 2 2019, In: Journal of the American Chemical Society. 141, 39, p. 15515-15518 4 p.Research output: Contribution to journal › Article › peer-review
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A biomonitoring study of lead, cadmium, and mercury in the blood of New York City adults
McKelvey, W., Gwynn, R. C., Jeffery, N., Kass, D., Thorpe, L. E., Garg, R. K., Palmer, C. D. & Parsons, P. J., Oct 2007, In: Environmental health perspectives. 115, 10, p. 1435-1441 7 p.Research output: Contribution to journal › Article › peer-review
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A biophysically based neural model of matching law behavior: Melioration by stochastic synapses
Soltani, A. & Wang, X. J., Apr 5 2006, In: Journal of Neuroscience. 26, 14, p. 3731-3744 14 p.Research output: Contribution to journal › Article › peer-review
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A biophysical model of cochlear processing: Intensity dependence of pure tone responses
Shamma, S. A., Chadwick, R. S., Wilbur, W. J., Morrish, K. A. & Rinzel, J., Jul 1986, In: Journal of the Acoustical Society of America. 80, 1, p. 133-145 13 p.Research output: Contribution to journal › Article › peer-review
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Abiotic Stress-Responsive Small RNA-Mediated Plant Improvement under a Changing Climate
Khraiwesh, B. & Qudeimat, E., Nov 8 2013, Climate Change and Plant Abiotic Stress Tolerance. Wiley-Blackwell, p. 481-506 26 p.Research output: Chapter in Book/Report/Conference proceeding › Chapter
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A bipedal DNA brownian motor with coordinated legs
Omabegho, T., Sha, R. & Seeman, N. C., Apr 3 2009, In: Science. 324, 5923, p. 67-71 5 p.Research output: Contribution to journal › Article › peer-review
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A birthday present every eleven wallets? The security of customer-chosen banking PINs
Bonneau, J., Preibusch, S. & Anderson, R., 2012, Financial Cryptography and Data Security - 16th International Conference, FC 2012, Revised Selected Papers. p. 25-40 16 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 7397 LNCS).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
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A birtokos szerkezet és az egzisztenciális mondatok
Szabolcsi, A., 1992, Budapest: Akademiai Kiado. 163 p.Research output: Book/Report › Book
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A bistable poly[2]catenane forms nanosuperstructures
Olson, M. A., Braunschweig, A. B., Fang, L., Ikeda, T., Klajn, R., Trabolsi, A., Wesson, P. J., Benítez, D., Mirkin, C. A., Grzybowski, B. A. & Stoddart, J. F., Feb 23 2009, In: Angewandte Chemie - International Edition. 48, 10, p. 1792-1797 6 p.Research output: Contribution to journal › Article › peer-review
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A bistable pretzelane
Zhao, Y. L., Trabolsi, A. & Stoddart, J. F., 2009, In: Chemical Communications. 32, p. 4844-4846 3 p.Research output: Contribution to journal › Article › peer-review
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A bitter pill to swallow? Patterns of critical consciousness and socioemotional and academic well-being in early adolescence
Godfrey, E. B., Burson, E. L., Yanisch, T. M., Hughes, D. & Way, N., Mar 2019, In: Developmental psychology. 55, 3, p. 525-537 13 p.Research output: Contribution to journal › Article › peer-review
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A bivariate shrinkage function for wavelet-based denoising
Şendur, L. & Selesnick, I. W., 2002, In: ICASSP, IEEE International Conference on Acoustics, Speech and Signal Processing - Proceedings. 2, p. II/1261-II/1264Research output: Contribution to journal › Conference article › peer-review
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A black-box method for parametric model order reduction
Geuss, M., Lohmann, B., Peherstorfer, B. & Willcox, K., Feb 1 2015, In: IFAC-PapersOnLine. 28, 1, p. 168-169 2 p.Research output: Contribution to journal › Conference article › peer-review
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A black - clad message on the streets of Beirut
Bazzi, M., Jan 2011, The National (Abu Dhabi).Research output: Contribution to specialist publication › Article
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A black hole X-ray binary at ̃100 Hz: multiwavelength timing of MAXI J1820+070 with HiPERCAM and NICER
Paice, J. A., Gandhi, P., Shahbaz, T., Uttley, P., Arzoumanian, Z., Charles, P. A., Dhillon, V. S., Gendreau, K. C., Littlefair, S. P., Malzac, J., Markoff, S., Marsh, T. R., Misra, R., Russell, D. M. & Veledina, A., Nov 1 2019, In: Monthly Notices of the Royal Astronomical Society. 490, 1, p. L62-L66Research output: Contribution to journal › Article › peer-review
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A black hole X-ray binary at ∼100 Hz: Multiwavelength timing of MAXI J1820+070 with HiPERCAM and NICER
Paice, J. A., Gandhi, P., Shahbaz, T., Uttley, P., Arzoumanian, Z., Charles, P. A., Dhillon, V. S., Gendreau, K. C., Littlefair, S. P., Malzac, J., Markoff, S., Marsh, T. R., Misra, R., Russell, D. M. & Veledina, A., Nov 1 2019, In: Monthly Notices of the Royal Astronomical Society: Letters. 490, 1, p. L62-L66Research output: Contribution to journal › Article › peer-review
Open Access -
Ablation of hepatic production of the acid-labile subunit in Bovine-GH transgenic mice: Effects on organ and skeletal growth
Liu, Z., Han, T., Fishman, S., Butler, J., Zimmermann, T., Tremblay, F., Harbison, C., Agrawal, N., Kopchick, J. J., Schaffler, M. B. & Yakar, S., Aug 1 2017, In: Endocrinology. 158, 8, p. 2556-2571 16 p.Research output: Contribution to journal › Article › peer-review
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Ablation of systemic phosphate-regulating gene fibroblast growth factor 23 (Fgf23) compromises the dentoalveolar complex
Chu, E. Y., Fong, H., Blethen, F. A., Tompkins, K. A., Foster, B. L., Yeh, K. D., Nagatomo, K. J., Matsa-Dunn, D., Sitara, D., Lanske, B., Rutherford, R. B. & Somerman, M. J., Jul 2010, In: Anatomical Record. 293, 7, p. 1214-1226 13 p.Research output: Contribution to journal › Article › peer-review