ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR THE INTERACTION BETWEEN BIOMOLECULES .7. POLAR AMINO-ACIDS AND CONCLUSIONS

被引:47
作者
CLEMENTI, E [1 ]
CORONGIU, G [1 ]
RANGHINO, G [1 ]
机构
[1] IST RIC G DONEGANI, I-28100 NOVARA, ITALY
关键词
D O I
10.1063/1.440812
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:578 / 588
页数:11
相关论文
共 69 条
[1]   MONTE-CARLO SIMULATION OF PHYSICAL CLUSTERS OF WATER MOLECULES [J].
ABRAHAM, FF .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :1221-1225
[2]   Structure of water; A Monte Carlo calculation [J].
Barker, J. A. ;
Watts, R. O. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (03) :144-145
[3]  
BERTHOD H, 1979, ISRAEL J CHEM, V18, P344
[4]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[5]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .4. WATER WITH GLYCINE AND SERINE ZWITTERIONS [J].
CAROZZO, L ;
CORONGIU, G ;
PETRONGOLO, C ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :787-793
[6]   NONADDITIVITY OF INTERACTION IN WATER TRIMERS [J].
CLEMENTI, E ;
KOLOS, W ;
LIE, GC ;
RANGHINO, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (03) :377-398
[7]   MONTE-CARLO SIMULATIONS OF WATER CLUSTERS AROUND ZN++ AND A LINEAR ZN++.CO2 COMPLEX [J].
CLEMENTI, E ;
CORONGIU, G ;
JONSSON, B ;
ROMANO, S .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :260-263
[8]   A THEORETICAL-STUDY ON THE WATER-STRUCTURE FOR NUCLEIC-ACIDS BASES AND BASE-PAIRS IN SOLUTION AT T=300-K [J].
CLEMENTI, E ;
CORONGIU, G .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :3979-3992
[9]   INTERACTION OF WATER WITH DNA SINGLE-HELIX IN THE A CONFORMATION [J].
CLEMENTI, E ;
CORONGIU, G .
BIOPOLYMERS, 1979, 18 (10) :2431-2450
[10]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .14. COORDINATION NUMBERS FOR SELECTED ION-PAIRS IN WATER [J].
CLEMENTI, E ;
BARSOTTI, R ;
FROMM, J ;
WATTS, RO .
THEORETICA CHIMICA ACTA, 1976, 43 (02) :101-120