APPLICATION OF MOLECULAR-DYNAMICS AND FREE-ENERGY PERTURBATION-METHODS TO METALLOPORPHYRIN LIGAND SYSTEMS .1. CO AND DIOXYGEN BINDING TO 4 HEME SYSTEMS

被引:40
作者
LOPEZ, MA [1 ]
KOLLMAN, PA [1 ]
机构
[1] UNIV CALIF SAN FRANCISCO,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143
关键词
D O I
10.1021/ja00198a036
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6212 / 6222
页数:11
相关论文
共 38 条
  • [1] BUNN HF, 1987, HUMAN HEMOGLOBINS
  • [2] DYNAMICS OF LIGAND-BINDING TO HEME-PROTEINS
    CASE, DA
    KARPLUS, M
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 1979, 132 (03) : 343 - 368
  • [3] SYNTHESIS OF MYOGLOBIN ACTIVE-SITE
    CHANG, CK
    TRAYLOR, TG
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1973, 70 (09) : 2647 - 2650
  • [4] O-2 AND CO BINDING TO IRON(II) PORPHYRINS - A COMPARISON OF THE PICKET FENCE AND POCKET PORPHYRINS
    COLLMAN, JP
    BRAUMAN, JI
    IVERSON, BL
    SESSLER, JL
    MORRIS, RM
    GIBSON, QH
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (10) : 3052 - 3064
  • [5] REVERSIBLE BINDING OF DINITROGEN AND DIOXYGEN BY A RUTHENIUM PICNIC-BASKET PORPHYRIN
    COLLMAN, JP
    BRAUMAN, JI
    FITZGERALD, JP
    SPARAPANY, JW
    IBERS, JA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (11) : 3486 - 3495
  • [6] DAVID S, 1986, FRONTIERS BIOINORGAN, P163
  • [7] EVALUATION OF AM1 CALCULATED PROTON AFFINITIES AND DEPROTONATION ENTHALPIES
    DEWAR, MJS
    DIETER, KM
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (25) : 8075 - 8086
  • [8] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL
    DEWAR, MJS
    ZOEBISCH, EG
    HEALY, EF
    STEWART, JJP
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) : 3902 - 3909
  • [9] GIAMMONA DA, 1986, THESIS U CALIFORNIA
  • [10] RATES OF REACTION OF ASCARIS HAEMOGLOBINS WITH LIGANDS
    GIBSON, QH
    SMITH, MH
    [J]. PROCEEDINGS OF THE ROYAL SOCIETY SERIES B-BIOLOGICAL SCIENCES, 1965, 163 (991): : 206 - +