메뉴 건너뛰기




Volumn 132, Issue 13, 2010, Pages

A coarse-grained model for amorphous and crystalline fatty acids

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SYSTEMS; COARSE GRAINED MODELS; COARSE-GRAINED FORCE FIELDS; CRYSTALLINE STATE; DAMPING FACTORS; FORCE FIELDS; FOREIGN SUBSTANCES; FREE FATTY ACID; LIPID SYSTEMS; MAIN COMPONENT; MODEL MIXTURES; MOLECULAR LEVELS; RADIAL DISTRIBUTION FUNCTIONS; SOLID PHASIS; STRATUM CORNEUM; STRUCTURAL DETAILS;

EID: 77954606558     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3360146     Document Type: Article
Times cited : (32)

References (24)
  • 1
    • 0003994083 scopus 로고
    • edited by P. Williams (Churchill Livingstone, New York)
    • Gray's Anatomy, edited by, P. Williams, (Churchill Livingstone, New York, 1995).
    • (1995) Gray's Anatomy
  • 2
    • 0003865231 scopus 로고    scopus 로고
    • in, edited by M. S. Roberts and K. A. Watlers (Marcel Dekker, New York), Vol.
    • M. S. Roberts and K. A. Watlers, in Dermal Absorption and Toxicity Assessment, edited by, M. S. Roberts, and, K. A. Watlers, (Marcel Dekker, New York, 1998), Vol. 91.
    • (1998) Dermal Absorption and Toxicity Assessment , vol.91
    • Roberts, M.S.1    Watlers, K.A.2
  • 3
    • 0019417921 scopus 로고
    • PHTHDT 0163-7258, 10.1016/0163-7258(81)90006-1;, J. Invest. Dermatol. JIDEAE 0022-202X 89, 419 (1987) 10.1111/1523-1747.ep12471781;, Arch. Oral Biol. AOBIAR 0003-9969 40, 1085 (1995) 10.1016/0003-9969(95)00091-7;, J. Invest. Dermatol. JIDEAE 0022-202X 121, 231 (2003). 10.1046/j.1523-1747.2003.12359.x
    • H. J. Yardley and R. Summerly, Pharmacol. Ther. PHTHDT 0163-7258 13, 357 (1981) 10.1016/0163-7258(81)90006-1; P. W. Wertz, D. C. Swartzendruber, K. C. Madison, and D. T. Downing, J. Invest. Dermatol. JIDEAE 0022-202X 89, 419 (1987) 10.1111/1523-1747.ep12471781; S. Law, P. W. Wertz, D. C. Swartzendruber, and C. A. Squier, Arch. Oral Biol. AOBIAR 0003-9969 40, 1085 (1995) 10.1016/0003-9969(95)00091-7; K. C. Madison, J. Invest. Dermatol. JIDEAE 0022-202X 121, 231 (2003). 10.1046/j.1523-1747.2003.12359.x
    • (1981) Pharmacol. Ther. , vol.13 , pp. 357
    • Yardley, H.J.1    Summerly, R.2    Wertz, P.W.3    Swartzendruber, D.C.4    Madison, K.C.5    Downing, D.T.6    Law, S.7    Wertz, P.W.8    Swartzendruber, D.C.9    Squier, C.A.10    Madison, K.C.11
  • 8
    • 0000206982 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.476160;, Phys. Rev. Lett. PRLTAO 0031-9007 82, 221 (1999). 10.1103/PhysRevLett.82.221
    • R. Goetz and R. Lipowsky, J. Chem. Phys. JCPSA6 0021-9606 108, 7397 (1998) 10.1063/1.476160; R. Goetz, G. Gompper, and R. Lipowsky, Phys. Rev. Lett. PRLTAO 0031-9007 82, 221 (1999). 10.1103/PhysRevLett.82.221
    • (1998) J. Chem. Phys. , vol.108 , pp. 7397
    • Goetz, R.1    Lipowsky, R.2    Goetz, R.3    Gompper, G.4    Lipowsky, R.5
  • 9
    • 0242302386 scopus 로고    scopus 로고
    • JPCBFK 1089-5647, 10.1021/jp035007s;, J. Chem. Phys. JCPSA6 0021-9606 121, 9156 (2004) 10.1063/1.1803537;, J. Phys. Chem. B JPCBFK 1089-5647 109, 2469 (2005) 10.1021/jp044629q;, Eur. Biophys. J. EBJOE8 0175-7571 35, 53 (2005) 10.1007/s00249-005-0005-y;, Chem. Phys. Lipids CPLIA4 0009-3084 135, 223 (2005). 10.1016/j.chemphysli2005.03.001
    • M. Kranenburg, M. Venturoli, and B. Smit, J. Phys. Chem. B JPCBFK 1089-5647 107, 11491 (2003) 10.1021/jp035007s; T. Murtola, E. Falck, M. Patra, M. Karttunen, and I. Vattulainen, J. Chem. Phys. JCPSA6 0021-9606 121, 9156 (2004) 10.1063/1.1803537; S. Izvekov and G. A. Voth, J. Phys. Chem. B JPCBFK 1089-5647 109, 2469 (2005) 10.1021/jp044629q; A. P. Lyubartsev, Eur. Biophys. J. EBJOE8 0175-7571 35, 53 (2005) 10.1007/s00249-005-0005-y; S. J. Marrink, J. Risselada, and A. E. Mark, Chem. Phys. Lipids CPLIA4 0009-3084 135, 223 (2005). 10.1016/j.chemphyslip.2005.03.001
    • (2003) J. Phys. Chem. B , vol.107 , pp. 11491
    • Kranenburg, M.1    Venturoli, M.2    Smit, B.3    Murtola, T.4    Falck, E.5    Patra, M.6    Karttunen, M.7    Vattulainen, I.8    Izvekov, S.9    Voth, G.A.10    Lyubartsev, A.P.11    Marrink, S.J.12    Risselada, J.13    Mark, A.E.14
  • 12
    • 2342473866 scopus 로고    scopus 로고
    • JCOMEL 0953-8984, 10.1088/0953-8984/16/15/R03;, Curr. To Membr. CTMEET 1063-5823 60, 181 (2008). 10.1016/S1063-5823(08)00007-0
    • S. Nielsen, C. Lopez, G. Srinivas, and M. Klein, J. Phys.: Condens. Matter JCOMEL 0953-8984 16, R481 (2004) 10.1088/0953-8984/16/15/R03; G. S. Ayton, S. Izvekov, W. G. Noid, and G. A. Voth, Curr. Top. Membr. CTMEET 1063-5823 60, 181 (2008). 10.1016/S1063-5823(08)00007-0
    • (2004) J. Phys.: Condens. Matter , vol.16 , pp. 481
    • Nielsen, S.1    Lopez, C.2    Srinivas, G.3    Klein, M.4    Ayton, G.S.5    Izvekov, S.6    Noid, W.G.7    Voth, G.A.8
  • 15
  • 16
    • 0442295454 scopus 로고    scopus 로고
    • JPCBFK 1089-5647,. 10.1021/jp0354752
    • V. Molinero and W. A. Goddard, J. Phys. Chem. B JPCBFK 1089-5647 108, 1414 (2004). 10.1021/jp0354752
    • (2004) J. Phys. Chem. B , vol.108 , pp. 1414
    • Molinero, V.1    Goddard, W.A.2
  • 20
    • 0030175155 scopus 로고    scopus 로고
    • JMGRDV 0263-7855, 10.1016/S0263-7855(96)00043-4;, Phys. Rev. A PLRAAN 1050-2947 31, 1695 (1985). 10.1103/PhysRevA.31.1695
    • W. Smith and T. R. Forester, J. Mol. Graphics JMGRDV 0263-7855 14, 136 (1996) 10.1016/S0263-7855(96)00043-4; W. G. Hoover, Phys. Rev. A PLRAAN 1050-2947 31, 1695 (1985). 10.1103/PhysRevA.31.1695
    • (1996) J. Mol. Graphics , vol.14 , pp. 136
    • Smith, W.1    Forester, T.R.2    Hoover, W.G.3
  • 21
    • 84925711387 scopus 로고
    • MOPHAM 0026-8976,. 10.1080/00268979300100371
    • S. Melchionna, G. Ciccotti, and B. L. Holian, Mol. Phys. MOPHAM 0026-8976 78, 533 (1993). 10.1080/00268979300100371
    • (1993) Mol. Phys. , vol.78 , pp. 533
    • Melchionna, S.1    Ciccotti, G.2    Holian, B.L.3
  • 22
    • 60049083996 scopus 로고    scopus 로고
    • EPJSFH 1292-8941,. 10.1140/epje/i2008-10413-5
    • H. Wang, C. Junghans, and K. Kremer, Eur. Phys. J. E EPJSFH 1292-8941 28, 221 (2009). 10.1140/epje/i2008-10413-5
    • (2009) Eur. Phys. J. e , vol.28 , pp. 221
    • Wang, H.1    Junghans, C.2    Kremer, K.3
  • 23
    • 17444374698 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.1861455;, J. Chem. Theory Comput. JCTCCE 1549-9618 2, 598 (2006) 10.1021/ct050334k;, J. Phys. Chem. B JPCBFK 1089-5647 110, 24093 (2006) 10.1021/jp0644558;, Comput. Phys. Commun. CPHCBZ 0010-4655 175, 264 (2006) 10.1016/j.cpc.2006.01.009;, J. Chem. Phys. JCPSA6 0021-9606 125, 164907 (2006) 10.1063/1.2362820;, Comput. Chem. Eng. CCENDW 0098-1354 29, 2380 (2005). 10.1016/j.compchemeng.2005.05.026
    • H. S. Ashbaugh, H. A. Patel, S. K. Kumar, and S. Garde, J. Chem. Phys. JCPSA6 0021-9606 122, 104908 (2005) 10.1063/1.1861455; D. Bedrov, C. Ayyagari, and G. D. Smith, J. Chem. Theory Comput. JCTCCE 1549-9618 2, 598 (2006) 10.1021/ct050334k; L. J. Chen, H. J. Qian, Z. Y. Lu, Z. S. Li, and C. C. Sun, J. Phys. Chem. B JPCBFK 1089-5647 110, 24093 (2006) 10.1021/jp0644558; J. Elezgaray and M. Laguerre, Comput. Phys. Commun. CPHCBZ 0010-4655 175, 264 (2006) 10.1016/j.cpc.2006.01.009; A. Rakshit and R. C. Picu, J. Chem. Phys. JCPSA6 0021-9606 125, 164907 (2006) 10.1063/1.2362820; Q. Sun and R. Faller, Comput. Chem. Eng. CCENDW 0098-1354 29, 2380 (2005). 10.1016/j.compchemeng.2005. 05.026
    • (2005) J. Chem. Phys. , vol.122 , pp. 104908
    • Ashbaugh, H.S.1    Patel, H.A.2    Kumar, S.K.3    Garde, S.4    Bedrov, D.5    Ayyagari, C.6    Smith, G.D.7    Chen, L.J.8    Qian, H.J.9    Lu, Z.Y.10    Li, Z.S.11    Sun, C.C.12    Elezgaray, J.13    Laguerre, M.14    Rakshit, A.15    Picu, R.C.16    Sun, Q.17    Faller, R.18
  • 24
    • 77950572103 scopus 로고    scopus 로고
    • On the investigation of coarse-grained models for water: Balancing computational efficiency and the retention of structural properties
    • (in press); online at
    • K. R. Hadley and C. McCabe, " On the investigation of coarse-grained models for water: Balancing computational efficiency and the retention of structural properties.," J. Phys. Chem. B (in press); online at http://pubs.acs.org/doi/abs/10.1021/jp911894a?prevSearch= mccabe%2Band%2Bhadley&searchHistoryKey=.
    • J. Phys. Chem. B
    • Hadley, K.R.1    McCabe, C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.