MONTE-CARLO DETERMINATION OF THE FREE-ENERGY AND INTERNAL ENERGY OF HYDRATION FOR THE ALA DIPEPTIDE AT 25-DEGREES-C

被引:188
作者
MEZEI, M [1 ]
MEHROTRA, PK [1 ]
BEVERIDGE, DL [1 ]
机构
[1] CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
关键词
D O I
10.1021/ja00294a005
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:2239 / 2245
页数:7
相关论文
共 46 条
[1]  
[Anonymous], BIOPHYSICAL CHEM
[2]   CONFORMATIONAL-ANALYSIS OF DIPEPTIDES IN AQUEOUS-SOLUTION .2. MOLECULAR-STRUCTURE OF GLYCINE AND ALANINE DIPEPTIDES BY DEPOLARIZED RAYLEIGH-SCATTERING AND LASER RAMAN SPECTROSCOPY [J].
AVIGNON, M ;
GARRIGOU.C ;
BOTHOREL, P .
BIOPOLYMERS, 1973, 12 (07) :1651-1669
[3]  
AVIGNON M, 1973, CONFORMATION BIOL MO
[4]  
BINKLEY JS, GAUSSIAN 80 QUANTUM
[5]  
BOSE L, 1971, J CHEM THERMODYN, V3, P663
[6]  
BRADY J, 1984, MAY WORKSH MOL DYN P
[7]   CONFORMATIONAL ENERGY ESTIMATES FOR STATISTICALLY COILING POLYPEPTIDE CHAINS [J].
BRANT, DA ;
MILLER, WG ;
FLORY, PJ .
JOURNAL OF MOLECULAR BIOLOGY, 1967, 23 (01) :47-&
[8]  
CHANDLER D, 1979, J CHEM PHYS, V70, P5386
[9]  
CHANDRASHEKAR J, UNPUB J AM CHEM SOC
[10]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .1. WATER WITH AMINO-ACIDS [J].
CLEMENTI, E ;
CAVALLONE, F ;
SCORDAMAGLIA, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5531-5545