The Royal Swedish Academy of Sciences has awarded the Nobel Prize in Chemistry for 2013 jointly to
Martin Karplus, Université de Strasbourg, Strasbourg, France, Harvard University, Cambridge, MA, USA
Michael Levitt, Stanford University School of Medicine, Stanford, CA, USA
Arieh Warshel, University of Southern California, Los Angeles, CA, USA
"for the development of multiscale models for complex chemical systems"
A selection of significant articles published by these Nobel Prize winners in IUCr Journals is given below. We congratulate the authors on their award.
E. Huler and A. Warshel (1974). Incorporation of inter- and intramolecular forces in the calculation of crystal packing and lattice vibrations. Acta Cryst. B30, 1822-1826, doi:10.1107/S0567740874005875.
A. Jack and M. Levitt (1978). Refinement of large structures by simultaneous minimization of energy and R factor. Acta Cryst. A34, 931-935, doi:10.1107/S0567739478001904.
H.-a. Yu, M. Karplus and W. A. Hendrickson (1985). Restraints in temperature-factor refinement for macromolecules: an evaluation by molecuar dynamics. Acta Cryst. B41, 191-201, doi:10.1107/S0108768185001926.
A. T. Brünger, M. Karplus and G. A. Petsko (1989). Crystallographic refinement by simulated annealing: application to crambin. Acta Cryst. A45, 50-61, doi:10.1107/S0108767388009195.
J. Kuriyan, A. T. Brünger, M. Karplus and W. A. Hendrickson (1989). X-ray refinement of protein structures by simulated annealing: test of the method on myohemerythrin. Acta Cryst. A45, 396-409, doi:10.1107/S0108767389000437.
A. T. Brunger, D. Das, A. M. Deacon, J. Grant, T. C. Terwilliger, R. J. Read, P. D. Adams, M. Levitt and G. F. Schröder (2012). Application of DEN refinement and automated model building to a difficult case of molecular-replacement phasing: the structure of a putative succinyl-diaminopimelate desuccinylase from Corynebacterium glutamicum. Acta Cryst.D68, 391-403, doi:10.1107/S090744491104978X .
A. Jack and M. Levitt (1978). Refinement of large structures by simultaneous minimization of energy and R factor. Acta Cryst. A34, 931-935, doi:10.1107/S0567739478001904.
H.-a. Yu, M. Karplus and W. A. Hendrickson (1985). Restraints in temperature-factor refinement for macromolecules: an evaluation by molecuar dynamics. Acta Cryst. B41, 191-201, doi:10.1107/S0108768185001926.
A. T. Brünger, M. Karplus and G. A. Petsko (1989). Crystallographic refinement by simulated annealing: application to crambin. Acta Cryst. A45, 50-61, doi:10.1107/S0108767388009195.
J. Kuriyan, A. T. Brünger, M. Karplus and W. A. Hendrickson (1989). X-ray refinement of protein structures by simulated annealing: test of the method on myohemerythrin. Acta Cryst. A45, 396-409, doi:10.1107/S0108767389000437.
A. T. Brunger, D. Das, A. M. Deacon, J. Grant, T. C. Terwilliger, R. J. Read, P. D. Adams, M. Levitt and G. F. Schröder (2012). Application of DEN refinement and automated model building to a difficult case of molecular-replacement phasing: the structure of a putative succinyl-diaminopimelate desuccinylase from Corynebacterium glutamicum. Acta Cryst.D68, 391-403, doi:10.1107/S090744491104978X .
Full lists of papers in IUCr Journals by Martin Karplus, Michael Levitt and Arieh Warshel
Photo credits: (Karplus) Harvard Public Affairs & Communications, Stephanie Mitchell/Harvard Staff Photographer; (Levitt) Linda A.
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