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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

  • methyl alcohol 100%
  • Compound Mobility 74%
  • molecular dynamics 70%
  • Proton 63%
  • protons 63%

• 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

  • Group Rotation 100%
  • nitromethane 96%
  • Nitromethane 77%
  • solid phases 62%
  • Methyl Group 56%

• 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

  • solvation 97%
  • Solvation 94%
  • Ions 81%
  • Oxygen 71%
  • molecular dynamics 64%

• 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

  • Radial Distribution Function 100%
  • Statistical Ensemble 80%
  • Solvation 69%
  • molecular dynamics 58%
  • Density Functional Theory 50%

• 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

  • Molecular Dynamics 100%
  • molecular dynamics 97%
  • Plane Wave 80%
  • water 77%
  • liquids 72%

• 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

  • Protein Structure 100%
  • Protein 42%
  • Static Electricity 40%
  • Annealing 40%
  • Proteins 37%

• 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

  • Peptides 100%
  • Free energy 90%
  • Surface Free Energy 87%
  • Ribosomes 79%
  • Density Functional Theory 66%

• 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

  • Nucleophiles 100%
  • Protonation 88%
  • Arginine 84%
  • nucleophiles 83%
  • Catalysis 63%

• 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

  • 4-oxalocrotonate tautomerase 100%
  • Hydrogen 53%
  • Carbon 45%
  • Energy Barrier 44%
  • Acids 42%

• 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

  • Inelastic Scattering 100%
  • glycine 79%
  • hydrogen atoms 59%
  • inelastic scattering 55%
  • Glycine 55%

• 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

  • lysine 100%
  • Catalysis 93%
  • catalysis 81%
  • Enzymes 80%
  • enzymes 75%

• 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

  • myoglobin 100%
  • Quantum Mechanics 84%
  • carbon monoxide 82%
  • Myoglobin 79%
  • Molecular Mechanic 72%

• 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

  • Hydrogen bonds 100%
  • Negative ions 98%
  • Ligands 96%
  • Protons 87%
  • hydrogen bonds 75%

• 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

  • chemical reactions 100%
  • Potential Energy 56%
  • Potential Energy Surface 52%
  • potential energy 46%
  • Dimension 41%

• 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

  • Binoculars 100%
  • Magnetic Resonance Imaging 92%
  • Cathode ray tubes 66%
  • stimulus 66%
  • Display devices 41%

• A bioecocultural approach to supporting adolescent mothers and their young children in conflict-affected contexts

  Wuermli, A. J., Yoshikawa, H. & Hastings, P. D., May 2021, In: Development and Psychopathology. 33, 2, p. 714-726 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Mothers 100%
  • adolescent 91%
  • Armed Conflicts 72%
  • Child 68%
  • adolescence 51%

• 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

  • Tobacco Use Disorder 100%
  • Pharmacology 54%
  • Nicotine 40%

• 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

  • psychological development 100%
  • Psychology 53%
  • Psychological Phenomena 52%
  • Developmental Biology 51%
  • biology 33%

• 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

  • purpurogallin 100%
  • Cycloaddition 98%
  • 3-hydroxybutanal 88%
  • Benzilic Acid Rearrangement 84%
  • Cycloaddition Reaction 81%

• 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

  • Biological Monitoring 97%
  • Cadmium 84%
  • Mercury 84%
  • Lead 67%
  • confidence 55%

• 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

  • Reward 100%
  • Synapses 94%
  • Plastics 49%
  • Decision Making 42%
  • Learning 37%

• 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

  • hair 100%
  • Cells 60%
  • Cochlea 46%
  • Nonlinearity 46%
  • cochlea 43%

• 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

  • Leg 100%
  • Walking 71%
  • DNA 68%
  • Equipment Design 56%
  • Hot Temperature 31%

• 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

  • [2]catenane 100%
  • Ground state 49%
  • NEMS 48%
  • Superlattice 33%
  • Thermodynamics 28%

• 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

  • Crown ethers 100%
  • Tetrathiafulvalene 56%
  • Crown Ether 48%
  • Oxidation 41%
  • Oxidation Reaction 21%

• 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

  • Deglutition 100%
  • Consciousness 99%
  • consciousness 85%
  • adolescence 80%
  • well-being 65%

• A black - clad message on the streets of Beirut

  Bazzi, M., Jan 2011, The National (Abu Dhabi).

  Research output: Contribution to specialist publication › Article

• 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-L66

  Research output: Contribution to journal › Article › peer-review

• 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-L66

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • time lag 100%
  • time measurement 94%
  • x rays 53%
  • wavelength 44%
  • timescale 42%

• 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

  • bovine growth hormone 100%
  • Transgenic Mice 56%
  • Intercellular Signaling Peptides and Proteins 51%
  • Acids 47%
  • Growth hormone excess 44%

• 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

  • fibroblast growth factor 23 100%
  • fibroblast growth factors 93%
  • ablation 73%
  • Phosphates 62%
  • phosphate 55%

• A blessing and a curse? Political institutions in the growth and decay of generalized trust: a cross-national panel analysis, 1980-2009.

  Robbins, B. G., 2012, In: PloS one. 7, 4, p. e35120

  Research output: Contribution to journal › Article › peer-review

  • market regulations 100%
  • property rights 62%
  • social capital 60%
  • deterioration 46%
  • business credit 44%

• A blind test of photometric redshift prediction

  Hogg, D. W., Cohen, J. G., Blandford, R., Gwyn, S. D. J., Hartwick, F. D. A., Mobasher, B., Mazzei, P., Sawicki, M., Lin, H., Yee, H. K. C., Connolly, A. J., Brunner, R. J., Csabai, I., Dickinson, M., SubbaRao, M. U., Szalay, A. S., Fernández-Soto, A., Lanzetta, K. M. & Yahil, A., Apr 1998, In: Astronomical Journal. 115, 4, p. 1418-1422 5 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • predictions 100%
  • prediction 92%
  • test 72%
  • telescopes 70%
  • galaxies 67%

• A Block Lanczos Method for Computing the Singular Values and Corresponding Singular Vectors of a Matrix

  Golub, G. H., Luk, F. T. & Overton, M. L., Jun 1 1981, In: ACM Transactions on Mathematical Software (TOMS). 7, 2, p. 149-169 21 p.

  Research output: Contribution to journal › Article › peer-review

  • Lanczos Method 100%
  • Band matrix 99%
  • Lanczos 94%
  • Singular Vectors 94%
  • Block Method 90%

• A blocks-based visual environment to teach robot-programming to K-12 students

  Yadagiri, R. G., Krishnamoorthy, S. P. & Kapila, V., Apr 1 2017, In: Computers in Education Journal. 8, 2, p. 24-32 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Robot programming 100%
  • robot 75%
  • Mobile robots 63%
  • Students 52%
  • Brick 19%

• Abnormal brain synchrony in Down Syndrome

  Anderson, J. S., Nielsen, J. A., Ferguson, M. A., Burback, M. C., Cox, E. T., Dai, L., Gerig, G. & Korenberg, J. R., 2013, In: NeuroImage: Clinical. 2, 1, p. 703-715 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Down Syndrome 100%
  • Brain 47%
  • Autistic Disorder 35%
  • Magnetic Resonance Imaging 15%
  • Intellectual Disability 11%

• Abnormal cervical screen follow-up among low-income latinas: Project SAFe

  Ell, K., Vourlekis, B., Muderspach, L., Nissly, J., Padgett, D., Pineda, D., Sarabia, O. & Lee, P. J., 2002, In: Journal of Women's Health and Gender-Based Medicine. 11, 7, p. 639-651 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Income 85%
  • Squamous Intraepithelial Lesions 17%
  • Social Workers 15%
  • Papanicolaou Test 15%
  • Counselors 15%

• Abnormal expression of synaptic proteins and neurotrophin-3 in the down syndrome mouse model Ts65Dn

  Pollonini, G., Gao, V., Rabe, A., Palminiello, S., Albertini, G. & Alberini, C. M., Sep 22 2008, In: Neuroscience. 156, 1, p. 99-106 8 p.

  Research output: Contribution to journal › Article › peer-review

  • Down Syndrome 75%
  • Chromosomes, Human, Pair 21 37%
  • Hippocampus 34%
  • Human Chromosomes 32%
  • Memory 31%

• Abnormal fluctuations and thermodynamic phase transitions in dynamical systems

  Wang, X. J., 1989, In: Physical Review A. 39, 6, p. 3214-3217 4 p.

  Research output: Contribution to journal › Article › peer-review

  • dynamical systems 100%
  • exponents 76%
  • thermodynamics 67%

• Abnormal mammogram follow-up: A pilot study in women with low income

  Ell, K., Padgett, D., Vourlekis, B., Nissly, J., Pineda, D., Sarabia, O., Walther, V., Blumenfield, S. & Lee, P. J., 2002, In: Cancer Practice. 10, 3, p. 130-138 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Income 100%
  • Social Workers 48%
  • Counseling 34%
  • Counselors 23%
  • Treatment Adherence and Compliance 23%

• Abnormal processing of speech during oddball target detection in schizophrenia

  Ngan, E. T. C., Vouloumanos, A., Cairo, T. A., Laurens, K. R., Bates, A. T., Anderson, C. M., Werker, J. F. & Liddle, P. F., Oct 1 2003, In: NeuroImage. 20, 2, p. 889-897 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Schizophrenia 100%
  • Temporal Lobe 94%
  • Healthy Volunteers 54%
  • Phonetics 51%
  • Frontal Lobe 19%

• Abnormal Sleep Signals Vulnerability to Chronic Social Defeat Stress

  Radwan, B., Jansen, G. & Chaudhury, D., Jan 12 2021, In: Frontiers in Neuroscience. 14, 610655.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Sleep 100%
  • Eye Movements 99%
  • Phenotype 19%
  • Social Behavior 18%
  • Mood Disorders 15%

• Abnormal vessel tortuosity as a marker of treatment response of malignant gliomas: Preliminary report

  Bullitt, E., Ewend, M. G., Aylward, S., Lin, W., Gerig, G., Joshi, S., Jung, I., Muller, K. & Smith, J. K., Dec 2004, In: Technology in Cancer Research and Treatment. 3, 6, p. 577-584 8 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Glioma 100%
  • Neoplasms 34%
  • Therapeutics 17%
  • Diagnostic Imaging 11%
  • Observation 7%

• Abolition of visual cortical direction selectivity affects visual behavior in cats

  Pasternak, T., Schumer, R. A., Gizzi, M. S. & Movshon, J. A., Dec 1985, In: Experimental Brain Research. 61, 1, p. 214-217 4 p.

  Research output: Contribution to journal › Article › peer-review

  • Cats 100%
  • Direction compound 85%
  • Neurons 29%
  • Visual Cortex 25%

• A bone pin from Kazakl’i-yatkan/Akcha-khan kala, Chorasmia.

  Kidd, F., 2007, In: Journal of Inner Asian Art and Archaeology. p. 21-27

  Research output: Contribution to journal › Article › peer-review

• A Book A Day

  Klass, P., Apr 1995, Parenting.

  Research output: Contribution to specialist publication › Article

• A "boosted fireball" model for structured relativistic jets

  Duffell, P. C. & Macfadyen, A. I., Oct 10 2013, In: Astrophysical Journal Letters. 776, 1, L9.

  Research output: Contribution to journal › Article › peer-review

  • fireballs 100%
  • light curve 38%
  • internal energy 27%
  • gamma ray bursts 27%
  • gamma radiation 26%

• Abortion disclosure laws and the first amendment: The broader public health implications of the supreme Court's becerra decision

  Pomeranz, J. L., 2019, In: American journal of public health. 109, 3, p. 412-418 7 p.

  Research output: Contribution to journal › Article › peer-review

  • Supreme Court Decisions 100%
  • Disclosure 60%
  • court decision 54%
  • abortion 51%
  • amendment 47%

• Abortion -ethical obligations

  Water, J. T., Leslie, N. & Guttmacher, S., 1999, In: South African Medical Journal. 89, 11 I, p. 1117-1118 2 p.

  Research output: Contribution to journal › Article › peer-review

• Abortion politics in the United States, 1972-1994: From single issue to ideology

  Hout, M., 1999, In: Gender Issues. 17, 2, p. 3-34 32 p.

  Research output: Contribution to journal › Article › peer-review

  • abortion 100%
  • ideology 83%
  • politicization 77%
  • politics 58%
  • sexual morality 55%