Three-dimensional mapping of microenvironmental control of methyl rotational barriers

Journal of Physical Chemistry B

Volumn 115, Issue 26, 2011, Pages 8575-8580

  Hembree, William I ^a   Baudry, Jerome ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ATOMS; CALCULATIONS; DIHEDRAL ANGLE; FUNCTIONAL GROUPS; PARAFFINS; ROTATION; VAN DER WAALS FORCES;

AB INITIO; ALANINE DIPEPTIDES; COOPERATIVE EFFECTS; EMPIRICAL FORCE; GEOMETRICAL ANALYSIS; METHYL GROUP; MICROENVIRONMENTAL EFFECTS; MOLECULAR ENVIRONMENT; NEOPENTANE; ROTATIONAL BARRIERS; THREE DIMENSIONAL MAPPING;

THREE DIMENSIONAL;

EID: 79959920645     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp201887v     Document Type: Article

References (14)

1. Krishnan, M.; Smith, J. C. J. Am. Chem. Soc. 2009, 131, 10083
2. Ishima, R.; Louis, J.; Torchia, D. J. Mol. Biol. 2001, 305, 515
3. Frederick, K. K.; Marlow, M. S.; Valentine, K. G.; Wand, A. J. Nature 2007, 448, 325
4. Lee, A.; Wand, A. Nature 2001, 411, 501
5. Roh, J.; Novikov, V.; Gregory, R.; Curtis, J.; Chowdhuri, Z.; Sokolov, A. Phys. Rev. Lett. 2005, 95, 038101
6. Krishnan, M.; Kurkal-Siebert, V.; Smith, J. J. Phys. Chem. B 2008, 112, 5522
7. Hayward, J.; Smith, J. C. Biophys. J. 2002, 82, 1216
8. Jarowski, P. D.; Houk, K. N.; Garcia-Garibay, M. A. J. Am. Chem. Soc. 2007, 129, 3110
9. Garcia-Garibay, M. A. Proc. Natl. Acd. Sci. U.S.A 2005, 102, 10771
10. Ben Shir, I.; Sasmal, S.; Mejuch, T.; Sinha, M. K.; Kapon, M.; Keinan, E. J. Org. Chem. 2008, 73, 8772
11. Baudry, J.; Smith, J. C. J. Phys. Chem. B. 2005, 109, 20572-20578
12. Baudry J. Am. Chem. Soc. 2006, 128, 11088-11093
13. Halgren, T. A. J. Comput. Chem. 1999, 20, 720
14. Harada, Y.; Iitaka, Y. Acta Crystallogr. 1974, 30, 1452