COMPUTATIONAL METHODS FOR DETERMINING PROTEIN STRUCTURES FROM NMR DATA

被引：68

作者：

GIPPERT, GP ^{[1
]}

YIP, PF ^{[1
]}

WRIGHT, PE ^{[1
]}

CASE, DA ^{[1
]}

机构：

[1] SCRIPPS CLIN & RES FDN,RES INST,DEPT MOLEC BIOL,LA JOLLA,CA 92037

来源：

BIOCHEMICAL PHARMACOLOGY | 1990年 / 40卷 / 01期

关键词：

D O I：

10.1016/0006-2952(90)90172-H

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

The general procedures by which solution structures of proteins may be deduced from distance and angular constraints derived from NMR are reviewed, with an emphasis on practical aspects of the calculations. In addition, novel methods based on chemical shift calculations and on quantitative fits to nuclear Overhauser effect intensities are presented; these should provide improved understanding of the limits of our ability to simulate complex spectra, and may permit higher precision structures to be determined. © 1990.

引用

页码：15 / 22

页数：8

共 46 条

[1] DETERMINATION OF PROTEIN STRUCTURES IN SOLUTION USING NMR DATA AND IMPACT [J].

BASSOLINO, DA ;

HIRATA, F ;

KITCHEN, DB ;

KOMINOS, D ;

PARDI, A ;

LEVY, RM .

INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCE COMPUTING, 1988, 2 (02) :41-61

[2] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].

BERENDSEN, HJC ;

POSTMA, JPM ;

VANGUNSTEREN, WF ;

DINOLA, A ;

HAAK, JR .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690

[3] ITERATIVE PROCEDURE FOR STRUCTURE DETERMINATION FROM PROTON PROTON NOES USING A FULL RELAXATION MATRIX APPROACH - APPLICATION TO A DNA OCTAMER [J].

BOELENS, R ;

KONING, TMG ;

VANDERMAREL, GA ;

VANBOOM, JH ;

KAPTEIN, R .

JOURNAL OF MAGNETIC RESONANCE, 1989, 82 (02) :290-308

[4] DETERMINATION OF BIOMOLECULAR STRUCTURES FROM PROTON-PROTON NOES USING A RELAXATION MATRIX APPROACH [J].

BOELENS, R ;

KONING, TMG ;

KAPTEIN, R .

JOURNAL OF MOLECULAR STRUCTURE, 1988, 173 :299-311

[5] COMATOSE, A METHOD FOR CONSTRAINED REFINEMENT OF MACROMOLECULAR STRUCTURE BASED ON TWO-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT SPECTRA [J].

BORGIAS, BA ;

JAMES, TL .

JOURNAL OF MAGNETIC RESONANCE, 1988, 79 (03) :493-512

[6] DISTANCE GEOMETRY AND RELATED METHODS FOR PROTEIN-STRUCTURE DETERMINATION FROM NMR DATA [J].

BRAUN, W .

QUARTERLY REVIEWS OF BIOPHYSICS, 1987, 19 (3-4) :115-157

[7] CALCULATION OF PROTEIN CONFORMATIONS BY PROTON PROTON DISTANCE CONSTRAINTS - A NEW EFFICIENT ALGORITHM [J].

BRAUN, W ;

GO, N .

JOURNAL OF MOLECULAR BIOLOGY, 1985, 186 (03) :611-626

[8] H-1-NMR PARAMETERS OF THE COMMON AMINO-ACID RESIDUES MEASURED IN AQUEOUS-SOLUTIONS OF THE LINEAR TETRAPEPTIDES H-GLY-GLY-X-L-ALA-OH [J].

BUNDI, A ;

WUTHRICH, K .

BIOPOLYMERS, 1979, 18 (02) :285-297

[9] APPLICATION OF MOLECULAR-DYNAMICS WITH INTERPROTON DISTANCE RESTRAINTS TO 3-DIMENSIONAL PROTEIN-STRUCTURE DETERMINATION - A MODEL STUDY OF CRAMBIN [J].

CLORE, GM ;

BRUNGER, AT ;

KARPLUS, M ;

GRONENBORN, AM .

JOURNAL OF MOLECULAR BIOLOGY, 1986, 191 (03) :523-551

[10] DETERMINATION OF 3-DIMENSIONAL STRUCTURES OF PROTEINS IN SOLUTION BY NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY [J].

CLORE, GM ;

GRONENBORN, AM .

PROTEIN ENGINEERING, 1987, 1 (04) :275-288

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