REFINEMENT OF X-RAY DATA ON PROTEINS .2. ADJUSTMENT OF STRUCTURE OF SPECIFIED GEOMETRY TO RELIEVE ATOMIC OVERLAPS

被引:24
作者
WARME, PK [1 ]
SCHERAGA, HA [1 ]
机构
[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
关键词
D O I
10.1016/0021-9991(73)90168-X
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
引用
收藏
页码:49 / 64
页数:16
相关论文
共 12 条
[1]  
Davidon W. C., 1959, ANL5990 AEC RES DEV
[2]   A MATHEMATICAL MODEL-BUILDING PROCEDURE FOR PROTEINS [J].
DIAMOND, R .
ACTA CRYSTALLOGRAPHICA, 1966, 21 :253-&
[3]   A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J].
FLETCHER, R ;
POWELL, MJD .
COMPUTER JOURNAL, 1963, 6 (02) :163-&
[5]   MINIMIZATION OF POLYPEPTIDE ENERGY .I. PRELIMINARY STRUCTURES OF BOVINE PANCREATIC RIBONUCLEASE S-PEPTIDE [J].
GIBSON, KD ;
SCHERAGA, HA .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1967, 58 (02) :420-&
[6]   REFINEMENT OF PROTEIN CONFORMATIONS USING A MACROMOLECULAR ENERGY MINIMIZATION PROCEDURE [J].
LEVITT, M ;
LIFSON, S .
JOURNAL OF MOLECULAR BIOLOGY, 1969, 46 (02) :269-&
[7]   ENERGY PARAMETERS IN POLYPEPTIDES .5. EMPIRICAL HYDROGEN-BOND POTENTIAL FUNCTION BASED ON MOLECULAR-ORBITAL CALCULATIONS [J].
MCGUIRE, RF ;
SCHERAGA, HA ;
MOMANY, FA .
JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (03) :375-&
[8]  
MOMANY FA, IN PRESS
[9]  
PHILLIPS DC, 1970, PRIVATE COMMUNICATIO
[10]  
PLATZER KEB, IN PRESS