THEORETICAL CALCULATIONS ON ENZYME-SUBSTRATE COMPLEXES - THE BASIS OF MOLECULAR RECOGNITION AND CATALYSIS

被引:39
作者
PINCUS, MR
SCHERAGA, HA
机构
[1] CORNELL UNIV, BAKER LAB CHEM, ITHACA, NY 14853 USA
[2] NIGMS, THEORET BIOL LAB, BETHESDA, MD 20205 USA
关键词
D O I
10.1021/ar00070a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:299 / 306
页数:8
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共 58 条
[51]   GEOMETRY OF FIRST STEP IN ACTION OF RIBONUCLEASE-A [J].
USHER, DA ;
ERENRICH, ES ;
ECKSTEIN, F .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1972, 69 (01) :115-+
[52]   ABSOLUTE STEREOCHEMISTRY OF SECOND STEP OF RIBONUCLEASE ACTION [J].
USHER, DA ;
RICHARDS.DI ;
ECKSTEIN, F .
NATURE, 1970, 228 (5272) :663-+
[53]   ACTIVE-SITE ALPHA-HELIX IN PAPAIN AND THE STABILITY OF THE ION-PAIR RS- ... IMH+ - ABINITIO MOLECULAR-ORBITAL STUDY [J].
VANDUIJNEN, PT ;
THOLE, BT ;
BROER, R ;
NIEUWPOORT, WC .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (04) :651-671
[54]   AN EMPIRICAL VALENCE BOND APPROACH FOR COMPARING REACTIONS IN SOLUTIONS AND IN ENZYMES [J].
WARSHEL, A ;
WEISS, RM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (20) :6218-6226
[55]   THEORETICAL STUDIES OF ENZYMIC REACTIONS - DIELECTRIC, ELECTROSTATIC AND STERIC STABILIZATION OF CARBONIUM-ION IN REACTION OF LYSOZYME [J].
WARSHEL, A ;
LEVITT, M .
JOURNAL OF MOLECULAR BIOLOGY, 1976, 103 (02) :227-249
[57]   CALCULATIONS OF CHEMICAL PROCESSES IN SOLUTIONS [J].
WARSHEL, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (12) :1640-1652
[58]  
ZIMMERMAN SS, 1977, MACROMOLECULES, V10, P1, DOI 10.1021/ma60055a001