ABINITIO REFINEMENT OF AN ORBITAL-CENTERED FORCE-FIELD FOR BIOMOLECULES - TEST CASES INCLUDING PEPTIDES, A SULFONAMIDE AND MODELING OF DNA HELICES

被引:11
作者
PLATT, E
ROBSON, B
机构
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D O I
10.1016/0022-5193(82)90117-5
中图分类号
Q [生物科学];
学科分类号
07 ; 0710 ; 09 ;
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页码:381 / 399
页数:19
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[1]   OPTIMIZED PARAMETERS FOR A-DNA AND B-DNA [J].
ARNOTT, S ;
HUKINS, DWL .
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1972, 47 (06) :1504-&
[2]   LEAST-SQUARES REFINEMENT OF CRYSTAL AND MOLECULAR STRUCTURES OF DNA AND RNA FROM X-RAY DATA AND STANDARD BOND LENGTHS AND ANGLES [J].
ARNOTT, S ;
DOVER, SD ;
WONACOTT, AJ .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1969, B 25 :2192-&
[3]  
BOYS SF, 1960, REV MOD PHYS, V32, P300
[4]  
CLEMENTI E, 1978, BIOPOLYMERS, V17, P33
[5]   CONFORMATIONAL POLYMORPHISM .2. CRYSTAL ENERGETICS BY COMPUTATIONAL SUBSTITUTION - FURTHER EVIDENCE FOR SENSITIVITY OF METHOD [J].
HAGLER, AT ;
BERNSTEIN, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (20) :6349-6354
[6]   ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS [J].
HAGLER, AT ;
HULER, E ;
LIFSON, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) :5319-5327
[7]   CONFORMATIONAL BEHAVIOR OF THE ARCHITECTURAL UNITS OF PEPTIDES AND PROTEINS - ASSESSMENT OF CURRENT UNDERSTANDING BY ABINITIO QUANTUM-MECHANICAL METHODS AND REFINEMENT OF THE DIPEPTIDE ENERGY SURFACE [J].
HILLIER, IH ;
ROBSON, B .
JOURNAL OF THEORETICAL BIOLOGY, 1979, 76 (01) :83-98
[8]   THE APPLICATION OF MOLECULAR MECHANICS TO THE STRUCTURES OF CARBOHYDRATES [J].
JEFFREY, GA ;
TAYLOR, R .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (01) :99-109
[9]   REFINEMENT OF CRYSTAL STRUCTURE OF ADENOSINE-5'-PHOSPHATE [J].
KRAUT, J ;
JENSEN, LH .
ACTA CRYSTALLOGRAPHICA, 1963, 16 (02) :79-+
[10]   CRYSTAL STRUCTURE OF ALPHA-SULPHANILAMIDE [J].
OCONNOR, BH ;
MASLEN, EN .
ACTA CRYSTALLOGRAPHICA, 1965, 18 :363-&