Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins

Applied Physics Letters

Volumn 105, Issue 8, 2014, Pages

  Barati Farimani, A ^a   Aluru, N R ^a   Tajkhorshid, Emad ^a,b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; MOLECULAR DYNAMICS; MOLECULES; ROTATIONAL FLOW;

ASPARAGINE RESIDUE; BIOLOGICAL WATER CHANNELS; EXTRACELLULAR REGION; MOLECULAR DYNAMICS TRAJECTORIES; ROTATIONAL COMPONENT; ROTATIONAL DIFFUSION; THERMODYNAMIC DESCRIPTION; TRANSLATIONAL MOTIONS;

TOBACCO;

EID: 84907359509     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4893782     Document Type: Article

References (35)

1. E. Tajkhorshid, P. Nollert, M. O. Jensen, L. J. W. Miercke, J. O'Connell, R. M. Stroud, and K. Schulten, Science 296 (5567), 525-530 (2002). 10.1126/science.1067778 (Pubitemid 34413590)
2. K. Murata, K. Mitsuoka, T. Hirai, T. Walz, P. Agre, J. B. Heymann, A. Engel, and Y. Fujiyoshi, Nature 407 (6804), 599-605 (2000). 10.1038/35036519
3. U. K. Eriksson, G. Fischer, R. Friemann, G. Enkavi, E. Tajkhorshid, and R. Neutze, Science 340 (6138), 1346-1349 (2013). 10.1126/science.1234306
4. B. Ilan, E. Tajkhorshid, K. Schulten, and G. A. Voth, Proteins 55 (2), 223-228 (2004). 10.1002/prot.20038 (Pubitemid 38443361)
5. B. L. de Groot, T. Frigato, V. Helms, and H. Grubmuller, J. Mol. Biol. 333 (2), 279-293 (2003). 10.1016/j.jmb.2003.08.003 (Pubitemid 37188572)
6. N. Chakrabarti, B. Roux, and R. Pomes, J. Mol. Biol. 343 (2), 493-510 (2004). 10.1016/j.jmb.2004.08.036 (Pubitemid 39296881)
7. Y. Wang, K. Schulten, and E. Tajkhorshid, Structure 13 (8), 1107-1118 (2005). 10.1016/j.str.2005.05.005 (Pubitemid 41111479)
8. M. Yasui, A. Hazama, T. H. Kwon, S. Nielsen, W. B. Guggino, and P. Agre, Nature 402 (6758), 184-187 (1999). 10.1038/46045
9. S. Tornroth-Horsefield, Y. Wang, K. Hedfalk, U. Johanson, M. Karlsson, E. Tajkhorshid, R. Neutze, and P. Kjellbom, Nature 439 (7077), 688-694 (2006). 10.1038/nature04316 (Pubitemid 43237610)
10. F. Q. Zhu, E. Tajkhorshid, and K. Schulten, Biophys. J. 86 (1), 50-57 (2004). 10.1016/S0006-3495(04)74082-5
11. H. Javot and C. Maurel, Ann. Bot. 90 (3), 301-313 (2002). 10.1093/aob/mcf199 (Pubitemid 34995766)
12. K. Tani, T. Mitsuma, Y. Hiroaki, A. Kamegawa, K. Nishikawa, Y. Tanimura, and Y. Fujiyoshi, J. Mol. Biol. 389 (4), 694-706 (2009). 10.1016/j.jmb.2009.04. 049
13. B. L. de Groot and H. Grubmuller, Science 294 (5550), 2353-2357 (2001). 10.1126/science.1062459
14. S. Gravelle, L. Joly, F. Detcheverry, C. Ybert, C. Cottin-Bizonne, and L. Bocquet, Proc. Natl. Acad. Sci. U.S.A. 110 (41), 16367-16372 (2013). 10.1073/pnas.1306447110
15. S. Joseph and N. R. Aluru, Nano Lett. 8 (2), 452-458 (2008). 10.1021/nl072385q (Pubitemid 351345998)
16. A. B. Farimani and N. R. Aluru, J. Phys. Chem. B 115 (42), 12145-12149 (2011). 10.1021/jp205877b
17. A. Debnath, B. Mukherjee, K. G. Ayappa, P. K. Maiti, and S. T. Lin, J. Chem. Phys. 133 (17), 174704 (2010). 10.1063/1.3494115
18. J. C. Phillips, R. Braun, W. Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R. D. Skeel, L. Kale, and K. Schulten, J. Comput. Chem. 26 (16), 1781-1802 (2005). 10.1002/jcc.20289 (Pubitemid 43078511)
19. J. B. Klauda, R. M. Venable, J. A. Freites, J. W. O'Connor, D. J. Tobias, C. Mondragon-Ramirez, I. Vorobyov, A. D. MacKerell, and R. W. Pastor, J. Phys. Chem. B 114 (23), 7830-7843 (2010). 10.1021/jp101759q
20. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79 (2), 926-935 (1983). 10.1063/1.445869
21. H. X. Sui, B. G. Han, J. K. Lee, P. Walian, and B. K. Jap, Nature 414 (6866), 872-878 (2001). 10.1038/414872a (Pubitemid 34024731)
22. W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics 14 (1), 33-38 (1996). 10.1016/0263-7855(96)00018-5 (Pubitemid 26152973)
23. S. E. Feller, Y. H. Zhang, R. W. Pastor, and B. R. Brooks, J. Chem. Phys. 103 (11), 4613-4621 (1995). 10.1063/1.470648
24. T. Darden, D. York, and L. Pedersen, J. Chem. Phys. 98 (12), 10089-10092 (1993). 10.1063/1.464397
25. B. L. de Groot and H. Grubmuller, Curr. Opin. Struct. Biol. 15 (2), 176-183 (2005). 10.1016/j.sbi.2005.02.003
26. A. B. Farimani, Y. B. Wu, and N. R. Aluru, Phys. Chem. Chem. Phys. 15 (41), 17993-18000 (2013). 10.1039/c3cp53277a
27. Y. Wang and E. Tajkhorshid, J. Nutr. 137 (6), 1509S-1515S (2007), see http://jn.nutrition.org/content/137/6/1509S.short.
28. M. O. Jensen, E. Tajkhorshid, and K. Schulten, Biophys. J. 85 (5), 2884-2899 (2003). 10.1016/S0006-3495(03)74711-0
29. J. S. Hub and B. L. De Groot, Proc. Natl. Acad. Sci. U.S.A. 105 (4), 1198-1203 (2008). 10.1073/pnas.0707662104 (Pubitemid 351397030)
30. H. N. Chen, Y. J. Wu, and G. A. Voth, Biophys. J. 90 (10), L73-L75 (2006). 10.1529/biophysj.106.084061
31. A. Burykin and A. Warshel, Biophys. J. 85 (6), 3696-3706 (2003). 10.1016/S0006-3495(03)74786-9
32. S. Joseph and N. R. Aluru, Phys. Rev. Lett. 101 (6), 064502 (2008). 10.1103/PhysRevLett.101.064502
33. S. T. Lin, P. K. Maiti, and W. A. Goddard, J. Phys. Chem. B 114 (24), 8191-8198 (2010). 10.1021/jp103120q
34. T. A. Pascal, S. T. Lin, and W. A. Goddard, Phys. Chem. Chem. Phys. 13 (1), 169-181 (2011). 10.1039/c0cp01549k
35. T. A. Pascal, W. A. Goddard, and Y. Jung, Proc. Natl. Acad. Sci. U.S.A. 108 (29), 11794-11798 (2011). 10.1073/pnas.1108073108