Levitt, Michael

Levine Raphael David 144, 766, 845 Levitt Michael 285 Levy Bernard 397, 398, 400, 536 Levy Mel 569,581,582,611 Lewis Gilbert Newton 6, 7, 327 Lifson Shneior 277, 289 Linderberg Jan 672,679... 

RWW thanks Ms. Janice Chapman and Dr. Narasimha Sreerama for their expert assistance. ZS and NRK thank Drs. Robert L. Baldwin, Trevor Creamer, Tobin Sosnick, Michael Levitt and George Rose for helpful discussions and guidance. Preparation of this manuscript and the research described herein from the Woody and Kallenbach laboratories, published and unpublished, have been supported by NIH Grant GM 22994 (RWW) and ONRgrantN00014-02-1-0125 (NRK). 

I wish to thank Phil Wolfe and Michael Levitt for valuable dicussions of minimization and escape methods, and Aneesur Rahman for repeatedly drawing my attention to practical cases of intolerable slowness in molecular dynamics. Some of the work was done at the Centre Eu-ropeen de Calcul Atomique et Moleculaire, Orsay,... 

Molecular Applications Group Dr. Michael Levitt 880 Lathrop Drive... 

Stanford University Michael Levitt Specialized in protein folding http //csb.stanford.edu/levitt... 

Sason Which was recently acknowledged by the awarding of the 2013 Nobel Prize in Chemistry to Martin Karplus, Michael Levitt, and Arieh Warshel for developing computer-based methods that allow chemists to calculate the properties, reactions, and dynamics of proteins. 

This approach created problems, though one of the founders of force fields, Michael Levitt, recalls that a model of a Transfer Ribonucleic Acid (tRNA) fragment constructed by him with 2000 atoms weighted more than 50 kg. 

Hodak H The Nobel prize in chemistry 2013 for the development of multiscale models of complex chemical systems a tribute to martin karplus, Michael Levitt and arieh warshel, JMol Biol 426(l) l-3, 2014. 

Finally, the special event should be mentioned here as the scientific and public recognition of achievements of computational chemistry over the last decades and its great prospects in the future the Nobel Prize in Chemistry 2013 awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel for the development of multiscale models for complex chemical systems . Inter alia, the lairreates laid the foimdation for the modem QM/MM approach [118] based nowadays on the ab initio or DFT and MM/MD approaches. There is no doubt that the extent of the DFT constituent will grow, increasing the reliability of the method by modehng enzyme-inhibitor reactions. 

Consequently, electrons often are treated (at least partly) quantum-mechanically in theoretical chemistry except for very large systems (in the field of Molecular Mechanics ). However, if the motion of the nuclei is added to the description of the system it is generally achieved through a classical treatment by solving Newton s equations, i.e., classically. This is the field known as Molecular Dynamics [13] (the development of models in this field has earned the Nobel prize in Chemistry to Martin Karplus, Michael Levitt, and Arieh Warshel in 2013). There are good reasons to support this strategy. The nuclei have a much larger mass than the electrons, and. 

Martin Karplus, Michael Levitt, Arieh Warshel 1956 Sir Cyril Hinshelwood, Nikolay Semenov... 

Finally, the coupling of an elaborated quanmm description of a chemically important subsystem with the rest of the system described at a lower level such as the classical mechanical one or even the continuum allowed the development of multiscale models for the treatment of the complex systems considered above. These methodologies represent a real scientific advance which has been recently acknowledged by the Nobel prize awarded to Martin Karplus, Michael Levitt, and Arieh Warshel. 

---