PROBING THE SALT BRIDGE IN THE DIHYDROFOLATE-REDUCTASE METHOTREXATE COMPLEX BY USING THE COORDINATE-COUPLED FREE-ENERGY PERTURBATION METHOD

被引:57
作者
SINGH, UC
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D O I
10.1073/pnas.85.12.4280
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
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页码:4280 / 4284
页数:5
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共 29 条
[1]  
BAKER BERNARD R., 1959, CANCER CHEMOTHERAPY REPTS, V4, P1
[2]  
BAKER BR, 1967, DESIGN ACTIVE SITE D, P192
[3]   FREE-ENERGY CALCULATIONS BY COMPUTER-SIMULATION [J].
BASH, PA ;
SINGH, UC ;
LANGRIDGE, R ;
KOLLMAN, PA .
SCIENCE, 1987, 236 (4801) :564-568
[4]   CALCULATION OF THE RELATIVE CHANGE IN BINDING FREE-ENERGY OF A PROTEIN-INHIBITOR COMPLEX [J].
BASH, PA ;
SINGH, UC ;
BROWN, FK ;
LANGRIDGE, R ;
KOLLMAN, PA .
SCIENCE, 1987, 235 (4788) :574-576
[5]  
BEVAN AW, 1985, EUR BIOPHYS J BIOPHY, V11, P211
[6]  
BLAKELY RL, 1985, FOLATES PTERINS, V1, P191
[7]  
BOLIN TJ, 1982, J BIOL CHEM, V257, P13650
[8]   C-13 NUCLEAR MAGNETIC-RESONANCE STUDY OF PROTONATION OF METHOTREXATE AND AMINOPTERIN BOUND TO DIHYDROFOLATE-REDUCTASE [J].
COCCO, L ;
GROFF, JP ;
TEMPLE, C ;
MONTGOMERY, JA ;
LONDON, RE ;
MATWIYOFF, NA ;
BLAKLEY, RL .
BIOCHEMISTRY, 1981, 20 (14) :3972-3978
[9]   PROTONATED STATE OF METHOTREXATE, TRIMETHOPRIM, AND PYRIMETHAMINE BOUND TO DIHYDROFOLATE-REDUCTASE [J].
COCCO, L ;
ROTH, B ;
TEMPLE, C ;
MONTGOMERY, JA ;
LONDON, RE ;
BLAKLEY, RL .
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS, 1983, 226 (02) :567-577
[10]  
ERICKSON JS, 1972, J BIOL CHEM, V247, P5661