Research Output 1960 2019

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Chapter (peer-reviewed)

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 proceedingChapter (peer-reviewed)

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 proceedingChapter (peer-reviewed)

A bottom-up approach to nanotechnology using DNA

Seeman, N., Chen, J., Zhang, Y., Liu, B., Qiu, H., Fu, T. J., Wang, Y., Li, X., Yang, X., Qi, J., Liu, F., Wenzler, L. A., Du, S. M., Mueller, J. E., Wang, H., Mao, C., Sun, W., Shen, Z., Wong, M. H., Yan, H. & 1 others, Sha, R., 1998, Biological molecules in nanotechnology. Lee, S. C. (ed.). Southborough, MA: IBC Libraries, p. 45-58

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Acid hydrolysis of cellulose as a pretreatment for bioconversion

Rugg, B., Armstrong, P., Kimchie, S. & Ang, K. M., May 1985, Biotechnology applied to environmental problems. CRC Press

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

A new pair of algorithms for potential energy minimization and molecular dynamics simulations

Schlick, T., Peskin, C. & Overton, M., 1989, Book of abstracts of the sixth conversation in biomolecular stereodynamics. Sarma, R. H. (ed.). State University of New York, Albany

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

A separating framework for increasing the timestep in molecular dynamics

Barth, E., Mandziuk, M. & Schlick, T., 1997, Computer simulation of biomolecular systems. van Gunsteren, W., Weiner, P. & Wilkinson, T. (eds.). Leiden, The Netherlands: ESCOM Science Publishers, Vol. 3. p. 97-121

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Beyond optimization: Simulating the dynamics of supercoiled DNA by a macroscopic model

Ramachandran, G. & Schlick, T., 1996, Global minimization of nonconvex energy functions: Molecular conformation and protein folding. Pardalos, P., Shalloway, D. & Xue, G. (eds.). Providence, Rhode Island: American Mathematical Society, p. 215-231 (DIMACS Series in Discrete Mathematics and Theoretical Computer Science; vol. 23).

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Bound states of strongly coupled multidemensional molecular Hamiltonians by discrete variable representation approach

Bacic, Z., 1995, Domain-based parallelism and problem decomposition methods in computational science and engineering. Keyes, D. E., Saad, Y. & Truhlar, D. G. (eds.). Philadelphia: SIAM, p. 263-277

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Breathing reactions in nucleic acids and proteins

Kallenbach, N., 1983, Structure, dynamics, interactions and evolution of biological macromolecules. Helene, C. (ed.). Reidel Publishing Co., p. 69-79

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

CD spectroscopy and the helix-coil transition in peptides and polypeptides

Kallenbach, N., Lyu, P. C. & Zhou, H. X., 1996, Circular dichroism and the conformational analysis of biomolecules. Fasman, G. D. (ed.). NY: Plenum Press, p. 201-259

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Colourful world of dyeing crystals

Brustolon, M. & Kahr, B., 2009, The treasures of eureka. Electron paramagnetic resonance spectroscopy: From fundamental research to pioneering applications. Salikhov, K. M. (ed.). New Zealand: Axas Publishing

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Computational techniques for density functional based molecular dynamics calculations in plane-wave and localized basis sets

Tzanov, A. T. & Tuckerman, M., 2014, Many-electron approaches in physics, chemistry and mathematics. Berlin: Springer, p. 261-283

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Construction of DNA polyhedra and knots through symmetry minimization

Seeman, N., Zhang, Y., Du, S. M. & Chen, J., 1995, Supramolecular stereochemistry. Siegel, J. (ed.). Dordrecht: Kluwer, p. 27-32 (NATO Advanced Research Workshop Series).

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Controlled formation & properties of responsive polymers

Weber, S. G., Wise, E. T., Hamilton, A., Fan, E., Vincent, C., Garcia-Tellado, F. & Geib, S. J., 1992, Active materials and adaptive structures. Knowles, G. J. (ed.). Institute of Physics Publishing, p. 33-38

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Controlling hydrogen bonding: From molecular recognition to organogelation

Melendez, R., Carr, A. J., Linton, B. & Hamilton, A., 2000, Topics in Current Chemistry. Vol. 96. p. 31-61

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Control of structure and topology in DNA nanotechnology

Seeman, N., Chen, J., Zhang, Y., Fu, T-J., Li, X., Yang, X., Wang, Y., Qi, J., Liu, B. & Liu, F., 1997, Molecular nanotechnology: Biological approaches and novel applications. Minden, S. A. (ed.). Southborough, MA: IBC Libraries, 31 p. Chapter 2.2

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Crown ethers and cryptands

Hamilton, A., 1983, Comprehensive heterocyclic chemistry. Katritzky, A. R. & Rees, C. W. (eds.). Pergamon Press, Vol. 7. p. 731

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Crystal engineering with soft and topologically adaptable molecular host frameworks

Holman, K. T. & Ward, M., 2000, Stimulating concepts in chemistry. Vogtle, Stoddart & Shibasaki (eds.). Weinheim: Wiley-VCH, p. 221

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Crystallographic investigation of oligonucleotide structure

Seeman, N., 1980, Geometry and dynamics of nucleic acids. Sarma, R. H. (ed.). New York: Pergamon Press, p. 109-142

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Crystal optics and the symmetry principle: An update

Kaminsky, W. & Kahr, B., 2001, Symmetry 2000. Stockholm: Wenner-Gren Foundation, p. 309-316

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Designing a sustainable and stretchable "fox testicle" ice cream

Johnson, A., Kirshenbaum, K. & McBride, AE., 2012, The kitchen as laboratory. Vega, C., Ubbink, J. & van der Linden, E. (eds.). New York: Columbia University Press

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Design of artificial receptors for biochemically interesting substrates

Hamilton, A., Chang, S. K., Goswami, S., Muehldorf, A. & Van Engen, D., 1989, Chemical and biochemical aspects of molecular recognition. London: Royal Society of London, Vol. 78. p. 234-242

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Determinata la struttura cristallina di un dinucleosidofosfato naturale (UpA)

Seeman, N., 1972, Enciclopedia della scienze e della tecnica, annuario DELLA EST, Mondadori, Milano, 1972. p. 68-69 in Itallian

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Diastereospecific recognition of triarylmethane dyes by K2So4 crystals: A case of plundered stereochemistry in postwar Europe

Kahr, B. & Kelley, M. P., 1995, Supramolecular Stereochemistry. Siegal, J. S. (ed.). Kluwer, Dordrecht, p. 203-227 (NATO ASI Series).

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Dicyclohexylcarbodiimide

Albert, J. S. & Hamilton, A., 1994, Encyclopedia of reagents for organic synthesis. Pearson, A. J. & Paquette, L. (eds.). Chichester: John Wiley and Sons

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Dicyclohexylcarbodiimide-4-dimethylaminopyridine

Albert, J. S. & Hamilton, A., 1994, Encyclopedia of reagents for organic synthesis. Pearson, A. J. & Paquette, L. (eds.). Chichester: John Wiley and Sons

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Dipolar and scalar couplings in NMR of quadrupolar nuclei

Jerschow, A., 2003, Current developments in solid state NMR spectroscopy. Muller, N. & Madhu, PK. (eds.). Berlin: Springer, p. 1

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Directed hydrogen bonding in the design of new receptors for complexation and catalysis

Hamilton, A., 1992, Chemical and biochemical aspects of molecular recognition II. London: Royal Society of London, Vol. 111. p. 75-82

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Directing nucleation and growth of molecular crystals on ordered substrates: The role of epitaxial interactions

Bonafede, S. J., Hillier, A. C. & Ward, M., 1997, Proceedings of the NATO Advanced Research Workshop on Modular Chemistry (held September 9 - 12 1995. Estes Park, Colorado). Michl, J. (ed.). Boston: Kluwer, p. 637

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA crystals, constructs and devices

Seeman, N., Birktoft, J. J., Sha, R., Gu, H., Wang, T., Zheng, J., Chao, J., Constantinou, P. E., Ding, B. & Mao, C., 2012, Handbook of neuroscience, engineering and technology. Goddard III, W. A., Brenner, D. W., Lyshevski, S. E. & Iafrate, G. J. (eds.). 3rd ed. New York: CRC Press, p. 1037-1049

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA nanoarchitectures, DNA nanotechnology, DNA nanotubes, DNA self-assembly

Seeman, N., 2008, Nucleic Acids from A to Z. Muller, S. (ed.). Weinheim: Wiley-VCH, p. 79-80; 81-82; 82; 86

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA nanostructures for mechanics and computing: Nonlinear thinking with life's central molecule

Seeman, N., 2004, NanoBiotechnology. Mirkin, C. & Niemeyer, C. (eds.). Weinheim: Wiley-VCH Verlag GmbH, p. 308-318 Chapter 20

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA nanotechnology

Seeman, N., 2004, Encyclopedia of supramolecular chemistry. New York: Marcel Dekker, p. 475-483

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA nanotechnology: From topological control to structural control

Seeman, N., 2000, Pattern formation in biology, vision and dynamics. Carbone, A., Gromov, M. & Pruzinkiewicz, P. (eds.). Singapore: World Scientific Publishing, p. 271-309

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA nanotechnology

Seeman, N., 1998, WTEC workshop report on R & D status and trends in nanoparticles, nanostructured materials, and nanodevices in the United States. Siegel, R. W., Hu, E. & Roco, M. C. (eds.). Baltimore: International Technology Research Institute, http://itri.loyola.edu/nano/us_r_n_d/09_04.htm

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

DNA nanotechnology and topology

Seeman, N., Wang, H., Qi, J., Li, X., Yang, X., Wang, Y., Qiu, H., Liu, B., Shen, Z., Sun, W., Liu, F., Molenda, J. J., Du, S. M., Chen, J., Mueller, J. E., Zhang, Y., Fu, T. J. & Zhang, S., 1996, Biological structure and dynamics. Sarma, R. H. & Sarma, M. H. (eds.). New York: Adenine Press, Vol. 2. p. 319-341

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Electrocrystallization of low-dimensional molecular solids

Ward, M., 1992, Supramolecular architecture. p. 231 (ACS Symposium Series 499).

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Equilibrium and kinetic characteristics of the low temperature open state in polynucleotide duplexes

Preisler, R., Mandal, C., Englander, S. W., Kallenbach, N., Howard, F. B., Frazier, J. & Miles, H. T., 1981, Biomolecular stereodynamics. Samar, R. H. (ed.). Adenine Press, p. 405-415

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Farnesyltransferase and geranylgeranyltransferase I inhibitors as novel agents for cancer and cardiovascular diseases

Sebti, S. M. & Hamilton, A., 2000, Farnesyltransferase as a target in anti-cancer drug design. Sebti, S. M. & Hamilton, A. D. (eds.). Humana Press, p. 197

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Fluorescence sensing of anions

Choi, K. & Hamilton, A., 2003, Encyclopedia of supramolecular chemistry. Atwood, J. L. & Steed, J. W. (eds.). Marcel Dekker

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Geometry optimization

Schlick, T., 1998, Encyclopedia of computational chemistry. von Rague Schleyer, P., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A. & Schaefer III, H. F. (eds.). West Sussex: John Wiley and Sons, Vol. 2. p. 1136-1157

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Histories of crystallography by Shafranovskii and Schuh

Kahr, B. & Shtukenberg, A. G., 2012, Recent advances in crystallography. Benedict, J. B. (ed.). p. 1-34

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

How to simulate the quantum-mechanical suppression of high-frequency modes in classical molecular dynamics computations

Peskin, C. & Schlick, T., 1990, Biomedical Engineering: Opening New Doors: Proceedings of the Fall 1990 Annual Meeting of the Biomedical Engineering Society. Mikulecky, D. C. & Clarke, A. M. (eds.). New York: NYU Press, p. 57-58

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Hydrogen-bonded ribbons, tapes and sheets as motifs for crystal engineering

Melendez, R. & Hamilton, A., 1998, Design of organic solids. p. 97-129 doi: 10.1007/3-540-69178-2_3. (Topics in Current Chemistry; vol. 198).

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Hydrogen bonding control of molecular self-assembly

Yang, J., Merendaz, J. L., Zafar, A., Geib, S. J. & Hamilton, A., 1995, Supramolecular stereochemistry. Siegel, J. (ed.). Kluwer, Vol. 473. p. 141-146

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Hydrogen bonding control of molecular self-assembly: Recent advances in design, synthesis, and analysis

Fredericks, J. & Hamilton, A., 1996, Comprehensive supramolecular chemistry. Sauvage, J. P. & Hosseini, M. W. (eds.). Oxford: Pergamon Press, Vol. 9. p. 565-594

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Hydrogen bonding in biological and artificial molecular recognition

Hamilton, A., 1990, Advances in supramolecular chemistry. Gokel, G. (ed.). JAI Press, Vol. 1. p. 1-64

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Immobile junctions suggest new features of the structural chemistry of recombination

Seeman, N., Mueller, J. E., Chen, J., Kallenbach, N., Chruchill, M. E. A. & Kimball, A., 1991, Structure and method: Proceedings of the 6th Conversation in Biomolecular Stereodynamics. Vol. 1. p. 137-156

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Intra- and intermolecular hydrogen bonding control of supramolecular structure

Hamilton, A., Hamuro, Y., Yang, J., Geib, S. J. & Fan, E., 1994, Computational problems in supramolecular chemistry. Wipff, G. (ed.). Kluwer, Vol. 426. p. 101-108

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

Intrasectoral zoning: Anisotropic organic materials

Gurney, R. W., Kurimoto, M., Subramony, J. A., Bastin, L. & Kahr, B., 2001, Approaches to polar order. Washington, DC: American Chemical Society, Vol. 789. p. 143-156 (ACS Symposium Series).

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)