Karplus. Martin

K (symbol for equihbrium constant) relation to AG°, 106—107 Karplus, Martin, 544 Kazan, University of, 3 Kekule, August, 3, 399-402 Kendrew, John C., 1087 a-Keratin, 1085 Ketals. See Acetals Ketene, 783... 

Kammerlingh Onnes Heike, 322 Karpfen Alfred, 553 Karplus Martin, 340, 354 Karwowski Jacek, 131,145, 216-217... 

Walter Nadler, Axel T. Briinger, Klaus Schulten, and Martin Karplus. Molecular and stochastic dynamics of proteins. Proc. Natl. Acad. Sci. USA, 84 7933-7937, Nov. 1987. 

Bernhard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson, David J. States, S. Swaminathan, and Martin Karplus. CHARMM A program for macro-molecular energy, minimization, and dynamics calculations. J. Comp. Chem., 4(2) 187-217, 1983. 

Charles L. Brooks III, B. Montgomery Pettitt, and Martin Karplus. Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids. J. Chem. Phys., 83(ll) 5897-5908, December 1985. 

The dependence of on dihedral angle is re ferred to as the Karplus relationship after Martin Karplus (Harvard University) who offered the presently accepted theoretical treat ment of it... 

Note The BIO+ force field is an implementation of the CHARMM (Chemistry at HARvard Macromolecular Mechanics) force field developed in the group of Martin Karplus at Harvard University. Like AMBER and OPLS, it is primarily designed to explore macromolecules. 

Martin Karplus Laboratoire de chimie Biophysique, ISIS Universite Louis Pasteur Strasbourg, France and... 

Four years later, Christian Bartels and Martin Karplus [55] used the WHAM equations as the core of their adaptive US approach, in which the efficiency of free energy calculations was improved through refinement of the biasing potentials as the simulation progressed. Efforts to develop adaptive US techniques had, however, started even before WHAM was developed. They were pioneered by Mihaly Mezei [56], who used a self-consistent procedure to refine non-Boltzmann biases. 

Moshe began his scientific career as a graduate student in theoretical chemistry with Raphy Levine at the Hebrew University, followed by a postdoctoral appointment with Martin Karplus at Harvard and, in 1973, a faculty position at the Weizmann Institute. My 41-year collaboration with Moshe began at that time, leading to the publication of over 120 joint research papers and the two books, on the Quantum Control of Molecular Processes, mentioned above. 

The discussion in this book may be complemented by that in Linus Pauling E. Bright Wilson, Jr., and Martin Karplus, Introduction to Quantum Mechanics with Applications to Chemistry, 2nd ed., McGraw-Hill Book Co., New York and London, 1960, to which later reference will be made under the title Introduction to Quantum Mechanics. 

Ronald Breslow and Martin Karplus, Editors Columbia University... 

D. M. York and Martin Karplus, A smooth solvation potential based on the conductor-like screening model, J. Phys. Chem., A, 103 (1999) 11060-11079. 

Charles L. Brooks III, Martin Karplus, and B. Montgomery Pettitt, Proteins A Theoretical Perspective of Dynamics, Structure and Thermodynamics, Wiley,... 

Further, for reasons which can be rationalized but not explained, their values appear to be independent of the nature of the organic moiety. Based on the theoretical treatment of spin coupling due to Ramsey12a, Grant and Lichtman12b c and Karplus and Grant12d, Fraenkel and Martin ascribed this phenomenon to an inverse relationship between s character associated with the 13C—6Li bond and its covalent character13. 

CHARMM Dr. Martin Karplus Department of Chemistry Harvard University 12 Oxford Street... 

---