Angular forces around transition metals in biomolecules

被引：8

作者：

Carlsson, AE ^{[1
]}

机构：

[1] Washington Univ, Dept Phys, St Louis, MO 63130 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 02期

关键词：

D O I：

10.1103/PhysRevLett.81.477

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quantum-mechanical analysis based on an exact sum rule is used to extract a semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular dependence is simple but different from existing classical potentials. Comparison of predicted energies with a computer-generated database shows that the semiclassical energy function, including its angular dependence, is very accurate.

引用

页码：477 / 480

页数：4

共 50 条

[1] The functional form of angular forces around transition metal ions in biomolecules
Carlsson, AE
Zapata, S
BIOPHYSICAL JOURNAL, 2001, 81 (01) : 1 - 10
[2] ANGULAR FORCES IN TRANSITION-METALS AND DIAMOND STRUCTURE SEMICONDUCTORS
CARLSSON, AE
ATOMISTIC SIMULATION OF MATERIALS : BEYOND PAIR POTENTIALS, 1989, : 103 - 113
[3] ANGULAR FORCES IN GROUP-VI TRANSITION-METALS - APPLICATION TO W(100)
CARLSSON, AE
PHYSICAL REVIEW B, 1991, 44 (13): : 6590 - 6597
[4] ANGULAR FORCES AND MELTING IN BCC TRANSITION-METALS - A CASE-STUDY OF MOLYBDENUM
MORIARTY, JA
PHYSICAL REVIEW B, 1994, 49 (18): : 12431 - 12445
[5] Theoretical studies of the interactions of transition metals with biomolecules
Rulisek, L
CHEMICKE LISTY, 2002, 96 (03): : 132 - 144
[6] BOND-ENERGIES AND DEFECT FORCES AROUND DIVACANCIES IN BCC TRANSITION-METALS
OHTA, Y
PHYSICA B & C, 1988, 149 (1-3): : 11 - 16
[7] BOND-ENERGIES AND DEFECT FORCES AROUND A VACANCY IN BCC TRANSITION-METALS
OHTA, Y
FINNIS, MW
PETTIFOR, DG
SUTTON, AP
JOURNAL OF PHYSICS F-METAL PHYSICS, 1987, 17 (11): : L273 - L281
[8] INTERATOMIC FORCES IN TRANSITION-METALS
FINNIS, MW
PAXTON, AT
PETTIFOR, DG
SUTTON, AP
OHTA, Y
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1988, 58 (01): : 143 - 163
[9] ANGULAR FORCES AND LATTICE-DYNAMICS OF FCC METALS
BEHARI, J
TRIPATHI, BB
INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1971, 9 (12) : 1037 - +
[10] ANGULAR FORCES IN LATTICE-DYNAMICS OF BCC METALS
RANI, N
GUPTA, HC
SOLID STATE COMMUNICATIONS, 1977, 23 (11) : 799 - 801

← 1 2 3 4 5 →