A MICROSCOPIC APPROACH TO THE STRUCTURE AND THERMODYNAMIC PROPERTIES OF PEPTIDES AND PROTEINS

被引:4
作者
AMODEO, P
BARONE, V
FRATERNALI, F
机构
关键词
D O I
10.1016/0040-6031(90)80336-W
中图分类号
O414.1 [热力学];
学科分类号
摘要
Models and methods for theoretical evaluation of the structure and thermodynamic characteristics of large molecules are analysed with particular reference to biomolecules. Original results for amides and model peptides are reported to show the reliability of ab initio, semi-empirical and empirical methods, and the fields of application of approaches at different levels of sophistication. © 1990.
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页码:141 / 154
页数:14
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共 47 条
  • [1] ABRAHAM RJ, 1978, CHEM PHYS LETT, V58, P4
  • [2] AMODEO P, IN PRESS
  • [3] [Anonymous], 1974, PURE APPL CHEM, V40, P277
  • [4] [Anonymous], 1964, PHYS REV
  • [5] [Anonymous], 1982, ACS MONOGRAPH
  • [6] ABINITIO MECHANISTIC STUDIES OF RADICAL REACTIONS - DIRECTIVE EFFECTS IN THE ADDITION OF METHYL RADICAL TO UNSYMMETRICAL FLUOROETHENES
    ARNAUD, R
    SUBRA, R
    BARONE, V
    LELJ, F
    OLIVELLA, S
    SOLE, A
    RUSSO, N
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1986, (10): : 1517 - 1524
  • [7] CONFORMATIONAL BEHAVIOR OF ALPHA,ALPHA-DIALKYLATED PEPTIDES - ABINITIO AND EMPIRICAL RESULTS FOR CYCLOPROPYLGLYCINE
    BARONE, V
    FRATERNALI, F
    CRISTINZIANO, PL
    LELJ, F
    ROSA, A
    [J]. BIOPOLYMERS, 1988, 27 (10) : 1673 - 1685
  • [8] Benedetti E., 1982, CHEM BIOCH AMINO ACI, V6, P105
  • [9] SAMPLING METHODS FOR MONTE-CARLO SIMULATIONS OF NORMAL-BUTANE IN DILUTE-SOLUTION
    BIGOT, B
    JORGENSEN, WL
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (04) : 1944 - 1952
  • [10] THEORETICAL EVALUATION OF INTERMOLECULAR INTERACTION ENERGY OF A CRYSTAL - APPLICATION TO ANALYSIS OF CRYSTAL GEOMETRY
    CAILLET, J
    CLAVERIE, P
    [J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1975, 31 (JUL1): : 448 - 461