ANALYSIS OF THE RELATIVE CONTRIBUTIONS OF THE NUCLEAR OVERHAUSER INTERPROTON DISTANCE RESTRAINTS AND THE EMPIRICAL ENERGY FUNCTION IN THE CALCULATION OF OLIGONUCLEOTIDE STRUCTURES USING RESTRAINED MOLECULAR-DYNAMICS

被引:57
作者
GRONENBORN, AM
CLORE, GM
机构
关键词
D O I
10.1021/bi00440a039
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:5978 / 5984
页数:7
相关论文
共 34 条
[1]   OPTIMIZED PARAMETERS FOR A-DNA AND B-DNA [J].
ARNOTT, S ;
HUKINS, DWL .
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1972, 47 (06) :1504-&
[2]   MOLECULAR MECHANICS AND DYNAMICS CALCULATIONS ON (DA)10.(DT)10 INCORPORATING DISTANCE CONSTRAINTS DERIVED FROM NMR RELAXATION MEASUREMENTS [J].
BEHLING, RW ;
RAO, SN ;
KOLLMAN, P ;
KEARNS, DR .
BIOCHEMISTRY, 1987, 26 (15) :4674-4681
[3]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[4]   3-DIMENSIONAL STRUCTURE OF PROTEINS DETERMINED BY MOLECULAR-DYNAMICS WITH INTERPROTON DISTANCE RESTRAINTS - APPLICATION TO CRAMBIN [J].
BRUNGER, AT ;
CLORE, GM ;
GRONENBORN, AM ;
KARPLUS, M .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1986, 83 (11) :3801-3805
[5]   CRYSTALLOGRAPHIC R-FACTOR REFINEMENT BY MOLECULAR-DYNAMICS [J].
BRUNGER, AT ;
KURIYAN, J ;
KARPLUS, M .
SCIENCE, 1987, 235 (4787) :458-460
[6]  
BRUNGER AT, 1988, XPLOR 1 5 MANUAL
[7]   THE 3-DIMENSIONAL STRUCTURE OF ALPHA-1-PUROTHIONIN IN SOLUTION - COMBINED USE OF NUCLEAR-MAGNETIC-RESONANCE, DISTANCE GEOMETRY AND RESTRAINED MOLECULAR-DYNAMICS [J].
CLORE, GM ;
NILGES, M ;
SUKUMARAN, DK ;
BRUNGER, AT ;
KARPLUS, M ;
GRONENBORN, AM .
EMBO JOURNAL, 1986, 5 (10) :2729-2735
[8]   REFINEMENT OF THE SOLUTION STRUCTURE OF THE DNA DODECAMER 5'D(CGCGPATTCGCG)2 CONTAINING A STABLE PURINE THYMINE BASE PAIR - COMBINED USE OF NUCLEAR MAGNETIC-RESONANCE AND RESTRAINED MOLECULAR-DYNAMICS [J].
CLORE, GM ;
OSCHKINAT, H ;
MCLAUGHLIN, LW ;
BENSELER, F ;
HAPP, CS ;
HAPP, E ;
GRONENBORN, AM .
BIOCHEMISTRY, 1988, 27 (11) :4185-4197
[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