Hydrophobic interaction and hydrogen-bond network for a methane pair in liquid water

Proceedings of the National Academy of Sciences of the United States of America

Volumn 104, Issue 8, 2007, Pages 2626-2630

  Li, Je Luen ^a,b,d   Car, Roberto ^a   Tang, Chao ^b,c   Wingreen, Ned S ^a,b  

^a PRINCETON UNIVERSITY   (United States)

^b NEC LABORATORIES AMERICA   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

Hydrophobicity; Molecular dynamics

Indexed keywords

METHANE; WATER;

ARTICLE; HYDROGEN BOND; HYDROPHOBICITY; LIQUID; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULE; PARTITION COEFFICIENT; PRIORITY JOURNAL; QUANTUM MECHANICS;

EID: 33847245469     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0610945104     Document Type: Article

References (42)

1. Scheraga HA (1998) J Biomol Struct Dyn 16:447-460.
2. Pratt LR (2002) Annu Rev Phys Chem 53:409-436.
3. Widom B, Bhimalapuram P, Koga K (2003) Phys Chem Chem Phys 5:3085-3093.
4. Wang S, Humphreys ES, Chung SY, Delduco DF, Lustig SR, Wang H, Parker KN, Rizzo NW, Subramoney S, Chiang Y-M, Jagota A (2003) Nat Mater 2:196-200.
5. Sharp KA, Nicholls A, Fine RF, Honig B (1991) Science 252:106-109.
6. Chan HS, Dill KA (1997) Annu Rev Biophys Biomol Struct 26:425-459.
7. Thompson PT, Davis CB, Wood RH (1988) J Phys Chem 92:6386-6399.
8. Wood RH, Thompson PT (1990) Proc Natl Acad Sci USA 87:946-949.
9. Pratt LR, Chandler D (1977) J Chem Phys 67:3683-3704.
10. Young WS, Brooks CL, III (1997) J Chem Phys 106:9265-9269.
11. Czaplewski C, Rodziewica-Motowidlo S, Liwo A, Ripoll DR, Wawak RJ, Scheraga HA (2000) Protein Sci 9:1235-1245.
12. Bromberg S, Dill KA (2002) Molecular Driving Forces: Statistical Thermodynamics in Chemistry and Biology (Routledge, New York).
13. Morozov AV, Kortemme T, Tsemekhman K, Baker D (2004) Proc Natl Acad Sci USA 101:6946-6951.
14. Car R, Parrinello M (1985) Phys Rev Lett 55:2471-2474.
15. Lee C, Vanderbilt D, Car R, Parrinello M (1992) Phys Rev Lett 69:462-465.
16. Laasonen K, Csajka F, Parrinello M (1992) Chem Phys Lett 194:172-174.
17. Laasonen K, Sprik MJ, Parrinello M, Car R (1993) J Chem Phys 99:9080-9089.
18. Yarne DA, Tuckerman ME, Klein ML (2000) Chem Phys 258:163-169.
19. Grossman JC, Schwegler E, Galli G (2004) J Phys Chem B 108:15865-15872.
20. Pratt LR, Chandler D (1980) J Chem Phys 73:3434-3441.
21. Smith DE, Haymet ADJ (1993) J Chem Phys 98:6445-6454.
22. Tembe BB, McCammon JA (1984) Comput Chem 8:281-283.
23. Pearlman DA (1993) J Chem Phys 98:8946-8956.
24. Torrie GM, Valleau JP (1977) J Comp Phys 23:187-199.
25. Ciccotti G, Ferrario M, Hynes JT, Kapral R (1989) Chem Phys 129:241-251.
26. Sprik M, Ciccotti G (1998) J Chem Phys 109:7737-7744.
27. Head-Gordon T (1995) Proc Natl Acad Sci USA 92:8308-8312.
28. McAuliffe C (1966) J Phys C 70:1267-1275.
29. Lee B, Richards FM (1971) J Mol Biol 55:379-380.
30. Shimizu S, Chan HS (2001) J Chem Phys 115:1414-1421.
31. Shimizu S, Chan HS (2002) Proteins 48:15-30.
32. Sharp KA, Nicholls A, Friedman R, Honig B (1991) Biochemistry 30:9686-9697.
33. Battino R (1987) in IUPAC Solubility Data Series, eds Clever HL, Young CL (Pergamon, Oxford), Vol 27/28, pp 1-97.
34. Gevantman LH (2003) in CRC Handbook of Chemistry and Physics, ed Lide DR (CRC, Boca Raton, FL), 84th Ed, pp 8-86-8-89.
35. Rahman A, Stillinger FH (1973) J Am Chem Soc 95:7943-7948.
36. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865-3868.
37. Vanderbilt D (1990) Phys Rev B 41:7892-7895.
38. Ikeda T, Terakura K (2003) J Chem Phys 119:6784-6788.
39. Xu X, Goddard WA, III (2004) J Phys Chem A 108:2305-2313.
40. Sit PH-L, Marzari N (2005) J Chem Phys 122:2045101-2045109.
41. Pasquarello A, Petri I, Salmon PS, Parisel O, Car R, Tóth É, Powell DH, Fischer HE, Helm L, Merbach AE (2001) Science 291:856-859.
42. Hetényi B, Angelis FD, Giannozzi P, Car R (2004) J Chem Phys 120:8632-8637.