CONFORMATIONAL STABILITY AND FLEXIBILITY OF THE ALA DIPEPTIDE IN FREE SPACE AND WATER - MONTE-CARLO COMPUTER-SIMULATION STUDIES

被引:32
作者
RAVISHANKER, G
MEZEI, M
BEVERIDGE, DL
机构
关键词
D O I
10.1002/jcc.540070311
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:345 / 348
页数:4
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共 13 条
[1]  
[Anonymous], BIOPHYSICAL CHEM
[2]  
BEVERIDGE D, 1985, MOL DYNAMICS PROTEIN
[3]  
BRADY J, J AM CHEM SOC
[4]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[5]   CRYSTAL AND MOLECULAR-STRUCTURES OF N-ACETYL-DL-ALANINE-N-METHYLAMIDE AND N-ACETYL-L-ALANINE-N-METHYLAMIDE [J].
HARADA, Y ;
IITAKA, Y .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, B 30 (JUN15) :1452-1459
[6]  
KARPLUS M, 1981, MACROMOLECULES, V14, P325, DOI 10.1021/ma50003a019
[7]  
KARPLUS M, 1985, MOL DYNAMICS PROTEIN
[8]   EVALUATION OF THE CONFIGURATIONAL ENTROPY FOR PROTEINS - APPLICATION TO MOLECULAR-DYNAMICS SIMULATIONS OF AN ALPHA-HELIX [J].
LEVY, RM ;
KARPLUS, M ;
KUSHICK, J ;
PERAHIA, D .
MACROMOLECULES, 1984, 17 (07) :1370-1374
[9]   QUASI-HARMONIC METHOD FOR CALCULATING VIBRATIONAL-SPECTRA FROM CLASSICAL SIMULATIONS ON MULTIDIMENSIONAL ANHARMONIC POTENTIAL SURFACES [J].
LEVY, RM ;
ROJAS, OD ;
FRIESNER, RA .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (19) :4233-4238
[10]   SOLVENT-DEPENDENT CONFORMATIONAL DISTRIBUTIONS OF SOME DIPEPTIDES [J].
MADISON, V ;
KOPPLE, KD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (15) :4855-4863