Do bridging water molecules dictate the structure of a model dipeptide in aqueous solution?

被引:152
作者
Poon, CD
Samulski, ET
Weise, CF
Weisshaar, JC
机构
[1] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA
[2] Univ N Carolina, Dept Chem, Venable & Kenan Labs CB3290, Chapel Hill, NC 27599 USA
关键词
D O I
10.1021/ja993953+
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:5642 / 5643
页数:2
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  • [1] Accurate ab initio quantum chemical determination of the relative energetics of peptide conformations and assessment of empirical force fields
    Beachy, MD
    Chasman, D
    Murphy, RB
    Halgren, TA
    Friesner, RA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (25) : 5908 - 5920
  • [2] LYOTROPIC MESOMORPHISM OF THE CESIUM PENTADECAFLUOROOCTANOATE WATER-SYSTEM - HIGH-RESOLUTION PHASE-DIAGRAM
    BODEN, N
    CORNE, SA
    JOLLEY, KW
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (15) : 4092 - 4105
  • [3] SIMULATIONS OF PEPTIDE CONFORMATIONAL DYNAMICS AND THERMODYNAMICS
    BROOKS, CL
    CASE, DA
    [J]. CHEMICAL REVIEWS, 1993, 93 (07) : 2487 - 2502
  • [4] Solution-phase conformations of N-acetyl-N'-methyl-L-alaninamide from vibrational Raman optical activity
    Deng, Z
    Polavarapu, PL
    Ford, SJ
    Hecht, L
    Barron, LD
    Ewig, CS
    Jalkanen, K
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (06) : 2025 - 2034
  • [5] 2-DIMENSIONAL NMR-STUDIES OF FLEXIBLE MOLECULES IN LIQUID-CRYSTALS - ORIENTATIONAL ORDER AND CONFORMATIONAL PROBABILITIES OF N-HEXANE
    GOCHIN, M
    PINES, A
    ROSEN, ME
    RUCKER, SP
    SCHMIDT, C
    [J]. MOLECULAR PHYSICS, 1990, 69 (04) : 671 - 695
  • [6] Theoretical study of aqueous N-acetyl-L-alanine N′-methylamide:: Structures and Raman, VCD, and ROA spectra
    Han, WG
    Jalkanen, KJ
    Elstner, M
    Suhai, S
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (14): : 2587 - 2602
  • [7] THEORETICAL-STUDY OF BLOCKED GLYCINE AND ALANINE PEPTIDE ANALOGS
    HEADGORDON, T
    HEADGORDON, M
    FRISCH, MJ
    BROOKS, CL
    POPLE, JA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (16) : 5989 - 5997
  • [8] CONCENTRATION TEMPERATURE-DEPENDENCE OF THE SIZE AND SHAPE OF THE MICELLES IN THE CESIUM PENTADECAFLUOROOCTANOATE WATER-SYSTEM
    HOLMES, MC
    REYNOLDS, DJ
    BODEN, N
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (20) : 5257 - 5262
  • [9] N-acetyl-L-alanine N'-methylamide: A density functional analysis of the vibrational absorption and vibrational circular dichroism spectra
    Jalkanen, KJ
    Suhai, S
    [J]. CHEMICAL PHYSICS, 1996, 208 (01) : 81 - 116
  • [10] COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER
    JORGENSEN, WL
    CHANDRASEKHAR, J
    MADURA, JD
    IMPEY, RW
    KLEIN, ML
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) : 926 - 935