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• A Bilingual Interactive Human Avatar Dialogue System

  Abu Ali, D., Ahmad, M., Al Hassan, H., Dozsa, P., Hu, M., Varias, J. & Habash, N., Jul 12 2018, p. 241-244. 4 p.

  Research output: Contribution to conference › Paper › peer-review

• Ability of cirrus HD-OCT optic nerve head parameters to discriminate normal from glaucomatous eyes

  Mwanza, J-C., Oakley, J. D., Budenz, D. L., Anderson, D. R., Chang, R. T., O'Rese, K. J., Gendy, M., Liebmann, J. M., Leung, C. K., Lam, D. S., Peace, J. H., Girkin, C. A., Werner, J. S., Keltner, J. L., Kim, E., Wollstein, G., Schuman, J. S., Ishikawa, H. & Noecker, R. J., 2011, In: Ophthalmology.

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

  Open Access

• A binary decision tree abstract domain functor

  Chen, J. & Cousot, P., 2015, Static Analysis- 22nd International Symposium, SAS 2015, Proceedings. Blazy, S. & Jensen, T. (eds.). Springer Verlag, p. 36-53 18 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 9291).

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• Ab Initio Methods

  Chivian, D., Robertson, T., Bonneau, R. & Baker, D., Jan 28 2005, Structural Bioinformatics. John Wiley and Sons Inc., p. 547-557 11 p.

  Research output: Chapter in Book/Report/Conference proceeding › Chapter

• Ab initio methods.

  Chivian, D., Robertson, T., Bonneau, R. & Baker, D., 2003, In: Methods of biochemical analysis. 44, p. 547-557 11 p.

  Research output: Contribution to journal › Review article › peer-review

• Ab initio molecular dynamics: Basic concepts, current trends and novel applications

  Tuckerman, M. E., Dec 23 2002, In: Journal of Physics Condensed Matter. 14, 50, p. R1297-R1355

  Research output: Contribution to journal › Review article › peer-review

• Ab initio molecular dynamics: Concepts, recent developments, and future trends

  Iftimie, R., Minary, P. & Tuckerman, M. E., May 10 2005, In: Proceedings of the National Academy of Sciences of the United States of America. 102, 19, p. 6654-6659 6 p.

  Research output: Contribution to journal › Review article › peer-review

  Open Access

• Ab initio molecular dynamics calculations with simple, localized, orthonormal real-space basis sets

  Liu, Y., Yarne, D. & Tuckerman, M., 2003, In: Physical Review B - Condensed Matter and Materials Physics. 68, 12

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

• Ab initio molecular dynamics investigation of the concentration dependence of charged defect transport in basic solutions via calculation of the infrared spectrum

  Zhu, Z. & Tuckerman, M. E., Aug 22 2002, In: Journal of Physical Chemistry B. 106, 33, p. 8009-8018 10 p.

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

• Ab initio molecular dynamics simulation of the solvation and transport of H₃O⁺ and OH^- ions in water

  Tuckerman, M., Laasonen, K., Sprik, M. & Parrinello, M., 1995, In: Journal of physical chemistry. 99, 16, p. 5749-5752 4 p.

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

• Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water

  Tuckerman, M., Laasonen, K., Sprik, M. & Parrinello, M., 1995, In: The Journal of Chemical Physics. 103, 1, p. 150-161 12 p.

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

• Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutions

  Morrone, J. A., Haslinger, K. E. & Tuckerman, M. E., Mar 2 2006, In: Journal of Physical Chemistry B. 110, 8, p. 3712-3720 9 p.

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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

  Open Access

• 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

• 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

• 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

• Ab initio neural network MD simulation of thermal decomposition of a high energy material CL-20/TNT

  Cao, L., Zeng, J., Wang, B., Zhu, T. & Zhang, J. Z. H., Apr 18 2022, In: Physical Chemistry Chemical Physics. 24, 19, p. 11801-11811 11 p.

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

• 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

• 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

• 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. 332-354

  Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed) › peer-review

• 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

• 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

• 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

• 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

• 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

• 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. 341-350

  Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed) › peer-review

• 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

• Abinitio relax: https://www.rosettacommons.org/docs/latest/application_documentation/structure_prediction/abinitio-relax

  Bonneau, R. & al., 2014

  Research output: Other contribution

• 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

• 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

  Open Access

• Ab initio Study of Atomic Structure and Electronic Properties of Different Phases of Polymorphic Ag₂S

  Makeev, M. A., Sahu, A. & Rajput, N. N., Apr 2022, In: Physica Status Solidi (B) Basic Research . 259, 4, 2100617.

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

• 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

• 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

• 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

• 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

• 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

• A biological basis for depression in pancreatic cancer

  Botwinick, I. C., Pursell, L., Yu, G., Cooper, T., Mann, J. J. & Chabot, J. A., Aug 2014, In: HPB. 16, 8, p. 740-743 4 p.

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

  Open Access

• 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

• A biomimetic approach to inverse kinematics for a redundant robot arm

  Artemiadis, P. K., Katsiaris, P. T. & Kyriakopoulos, K. J., Nov 2010, In: Autonomous Robots. 29, 3-4, p. 293-308 16 p.

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

• 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

• 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