COMPUTER-SIMULATION OF THE CONFORMATIONAL PROPERTIES OF RETRO-INVERSO PEPTIDES .2. ABINITIO STUDY, SPATIAL ELECTRON-DISTRIBUTION, AND POPULATION ANALYSIS OF N-FORMYLGLYCINE METHYLAMIDE, N-FORMYL N'-ACETYLDIAMINOMETHANE, AND N-METHYLMALONAMIDE

被引:48
作者
STERN, PS
CHOREV, M
GOODMAN, M
HAGLER, AT
机构
[1] UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
[2] HEBREW UNIV JERUSALEM,SCH PHARM,DEPT PHARMACEUT CHEM,IL-91120 JERUSALEM,ISRAEL
[3] AGOURON INST,LA JOLLA,CA 92037
关键词
D O I
10.1002/bip.360220807
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:1901 / 1917
页数:17
相关论文
共 24 条
[1]   INFRARED SPECTROSCOPY OF SOME MODEL PEPTIDE CONFORMATIONS [J].
AVIGNON, M ;
HUONG, PV ;
LASCOMBE, J ;
MARRAUD, M ;
NEEL, J .
BIOPOLYMERS, 1969, 8 (01) :69-&
[2]  
BENEDETTI E, 1977, PEPTIDES, P257
[3]  
BERNSTEIN J, 1981, J CHEM PHYS, V75, P5346
[4]   CRYSTAL PACKING, HYDROGEN-BONDING, AND THE EFFECT OF CRYSTAL FORCES ON MOLECULAR-CONFORMATION [J].
DAUBER, P ;
HAGLER, AT .
ACCOUNTS OF CHEMICAL RESEARCH, 1980, 13 (04) :105-112
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[6]   CONCEPT OF LINEAR MODIFIED RETRO-PEPTIDE STRUCTURES [J].
GOODMAN, M ;
CHOREV, M .
ACCOUNTS OF CHEMICAL RESEARCH, 1979, 12 (01) :1-7
[7]   COMPUTER-SIMULATION OF THE CONFORMATIONAL PROPERTIES OF OLIGOPEPTIDES - COMPARISON OF THEORETICAL METHODS AND ANALYSIS OF EXPERIMENTAL RESULTS [J].
HAGLER, AT ;
STERN, PS ;
SHARON, R ;
BECKER, JM ;
NAIDER, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (23) :6842-6852
[8]   ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS [J].
HAGLER, AT ;
HULER, E ;
LIFSON, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) :5319-5327
[9]   EXPERIMENTAL AND THEORETICAL STUDIES OF BARRIER TO ROTATION ABOUT N-C-ALPHA AND C-ALPHA-C' BONDS (PHI AND PSI) IN AMIDES AND PEPTIDES [J].
HAGLER, AT ;
LEISEROWITZ, L ;
TUVAL, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (15) :4600-4612
[10]   BASIS SET DEPENDENCE OF SPATIAL ELECTRON-DISTRIBUTION - IMPLICATIONS FOR CALCULATED CONFORMATIONAL EQUILIBRIA [J].
HAGLER, AT ;
LAPICCIRELLA, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (13) :4026-4029