MOLECULAR-DYNAMICS SIMULATIONS OF THE GRAMICIDIN CHANNEL

被引:209
作者
ROUX, B [1 ]
KARPLUS, M [1 ]
机构
[1] HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
来源
ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE | 1994年 / 23卷
关键词
ION; MEMBRANE; TRANSPORT; ION DIFFUSION; FREE ENERGY PROFILE;
D O I
10.1146/annurev.bb.23.060194.003503
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
[No abstract available]
引用
收藏
页码:731 / 761
页数:31
相关论文
共 111 条
[11]   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
[12]  
BROOKS CL, 1988, ADV CHEM PHYS, V71
[13]  
BUSATH D, 1988, JERUS SYM Q, V21, P187
[14]   STATISTICAL-MECHANICS OF ISOMERIZATION DYNAMICS IN LIQUIDS AND TRANSITION-STATE APPROXIMATION [J].
CHANDLER, D .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) :2959-2970
[15]   MOLECULAR-DYNAMICS COMPUTATIONS AND SOLID-STATE NUCLEAR-MAGNETIC-RESONANCE OF THE GRAMICIDIN CATION CHANNEL [J].
CHIU, SW ;
NICHOLSON, LK ;
BRENNEMAN, MT ;
SUBRAMANIAM, S ;
TENG, Q ;
MCCAMMON, JA ;
CROSS, TA ;
JAKOBSSON, E .
BIOPHYSICAL JOURNAL, 1991, 60 (04) :974-978
[16]   TIME-CORRELATION ANALYSIS OF SIMULATED WATER MOTION IN FLEXIBLE AND RIGID GRAMICIDIN CHANNELS [J].
CHIU, SW ;
JAKOBSSON, E ;
SUBRAMANIAM, S ;
MCCAMMON, JA .
BIOPHYSICAL JOURNAL, 1991, 60 (01) :273-285
[17]   THE NATURE OF ION AND WATER BARRIER CROSSINGS IN A SIMULATED ION CHANNEL [J].
CHIU, SW ;
NOVOTNY, JA ;
JAKOBSSON, E .
BIOPHYSICAL JOURNAL, 1993, 64 (01) :98-108
[18]   WATER AND POLYPEPTIDE CONFORMATIONS IN THE GRAMICIDIN CHANNEL - A MOLECULAR-DYNAMICS STUDY [J].
CHIU, SW ;
SUBRAMANIAM, S ;
JAKOBSSON, E ;
MCCAMMON, JA .
BIOPHYSICAL JOURNAL, 1989, 56 (02) :253-261
[19]  
CHIU SW, 1992, PROTEINS STRUCTURES, P315
[20]   CRYSTAL-STRUCTURES EXPLAIN FUNCTIONAL-PROPERTIES OF 2 ESCHERICHIA-COLI PORINS [J].
COWAN, SW ;
SCHIRMER, T ;
RUMMEL, G ;
STEIERT, M ;
GHOSH, R ;
PAUPTIT, RA ;
JANSONIUS, JN ;
ROSENBUSCH, JP .
NATURE, 1992, 358 (6389) :727-733