CYTOCHROME-C - A MOLECULAR PROVING GROUND FOR COMPUTER-SIMULATIONS

被引:27
作者
WONG, CF
ZHENG, C
SHEN, JA
MCCAMMON, JA
WOLYNES, PG
机构
[1] NO ILLINOIS UNIV,DEPT CHEM,DE KALB,IL 60115
[2] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77204
[3] UNIV ILLINOIS,DEPT CHEM,URBANA,IL 61801
关键词
D O I
10.1021/j100115a008
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This article surveys molecular simulation methods in the context of their applications to the electron-transfer protein, cytochrome c. Both classical and quantum simulations are considered, and it is shown how these can provide a wide variety of information on the functional properties of the protein.
引用
收藏
页码:3100 / 3110
页数:11
相关论文
共 62 条
[1]  
ALBERY WJ, 1973, J AM CHEM SOC, V292, P297
[2]  
[Anonymous], 1987, DYNAMICS PROTEINS NU
[3]   REBINDING AND RELAXATION IN THE MYOGLOBIN POCKET [J].
ANSARI, A ;
BERENDZEN, J ;
BRAUNSTEIN, D ;
COWEN, BR ;
FRAUENFELDER, H ;
HONG, MK ;
IBEN, IET ;
JOHNSON, JB ;
ORMOS, P ;
SAUKE, TB ;
SCHOLL, R ;
SCHULTE, A ;
STEINBACH, PJ ;
VITTITOW, J ;
YOUNG, RD .
BIOPHYSICAL CHEMISTRY, 1987, 26 (2-3) :337-355
[4]   PROTEIN STATES AND PROTEIN QUAKES [J].
ANSARI, A ;
BERENDZEN, J ;
BOWNE, SF ;
FRAUENFELDER, H ;
IBEN, IET ;
SAUKE, TB ;
SHYAMSUNDER, E ;
YOUNG, RD .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1985, 82 (15) :5000-5004
[5]   DYNAMICS OF LIGAND-BINDING TO MYOGLOBIN [J].
AUSTIN, RH ;
BEESON, KW ;
EISENSTEIN, L ;
FRAUENFELDER, H ;
GUNSALUS, IC .
BIOCHEMISTRY, 1975, 14 (24) :5355-5373
[6]   ROLE OF NUCLEAR TUNNELING IN AQUEOUS FERROUS FERRIC ELECTRON-TRANSFER [J].
BADER, JS ;
KUHARSKI, RA ;
CHANDLER, D .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (01) :230-236
[7]   DYNAMICS OF HEME IRON IN CRYSTALS OF METMYOGLOBIN AND DEOXYMYOGLOBIN [J].
BAUMINGER, ER ;
COHEN, SG ;
NOWIK, I ;
OFER, S ;
YARIV, J .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-BIOLOGICAL SCIENCES, 1983, 80 (03) :736-740
[8]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[9]   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
[10]  
BERNE BJ, 1986, ANNU REV PHYS CHEM, V37, P401