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 [J].
Beachy, MD ;
Chasman, D ;
Murphy, RB ;
Halgren, TA ;
Friesner, RA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (25) :5908-5920
[2]   LYOTROPIC MESOMORPHISM OF THE CESIUM PENTADECAFLUOROOCTANOATE WATER-SYSTEM - HIGH-RESOLUTION PHASE-DIAGRAM [J].
BODEN, N ;
CORNE, SA ;
JOLLEY, KW .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (15) :4092-4105
[3]   SIMULATIONS OF PEPTIDE CONFORMATIONAL DYNAMICS AND THERMODYNAMICS [J].
BROOKS, CL ;
CASE, DA .
CHEMICAL REVIEWS, 1993, 93 (07) :2487-2502
[4]   Solution-phase conformations of N-acetyl-N'-methyl-L-alaninamide from vibrational Raman optical activity [J].
Deng, Z ;
Polavarapu, PL ;
Ford, SJ ;
Hecht, L ;
Barron, LD ;
Ewig, CS ;
Jalkanen, K .
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 [J].
GOCHIN, M ;
PINES, A ;
ROSEN, ME ;
RUCKER, SP ;
SCHMIDT, C .
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 [J].
Han, WG ;
Jalkanen, KJ ;
Elstner, M ;
Suhai, S .
JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (14) :2587-2602
[7]   THEORETICAL-STUDY OF BLOCKED GLYCINE AND ALANINE PEPTIDE ANALOGS [J].
HEADGORDON, T ;
HEADGORDON, M ;
FRISCH, MJ ;
BROOKS, CL ;
POPLE, JA .
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 [J].
HOLMES, MC ;
REYNOLDS, DJ ;
BODEN, N .
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 [J].
Jalkanen, KJ ;
Suhai, S .
CHEMICAL PHYSICS, 1996, 208 (01) :81-116
[10]   COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER [J].
JORGENSEN, WL ;
CHANDRASEKHAR, J ;
MADURA, JD ;
IMPEY, RW ;
KLEIN, ML .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :926-935