MOLECULAR-DYNAMICS SIMULATIONS ON SOLVATED BIOMOLECULAR SYSTEMS - THE PARTICLE MESH EWALD METHOD LEADS TO STABLE TRAJECTORIES OF DNA, RNA, AND PROTEINS

被引：754

作者：

CHEATHAM, TE

MILLER, JL

FOX, T

DARDEN, TA

KOLLMAN, PA

机构：

[1] UNIV CALIF SAN FRANCISCO,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143

[2] NIEHS,RES TRIANGLE PK,NC 27709

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 117卷 / 14期

关键词：

D O I：

10.1021/ja00119a045

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4193 / 4194

页数：2

共 23 条

[1] LEFT-HANDED DNA HELICES [J].

ARNOTT, S ;

CHANDRASEKARAN, R ;

BIRDSALL, DL ;

LESLIE, AGW ;

RATLIFF, RL .

NATURE, 1980, 283 (5749) :743-745

[2] DETERMINATION OF A HIGH-QUALITY NUCLEAR-MAGNETIC-RESONANCE SOLUTION STRUCTURE OF THE BOVINE PANCREATIC TRYPSIN-INHIBITOR AND COMPARISON WITH 3 CRYSTAL-STRUCTURES [J].

BERNDT, KD ;

GUNTERT, P ;

ORBONS, LPM ;

WUTHRICH, K .

JOURNAL OF MOLECULAR BIOLOGY, 1992, 227 (03) :757-775

[3] SOLUTION STRUCTURE OF AN UNUSUALLY STABLE RNA HAIRPIN, 5'GGAC(UUCG)GUCC [J].

CHEONG, CJ ;

VARANI, G ;

TINOCO, I .

NATURE, 1990, 346 (6285) :680-682

[4]

CORNELL WD, IN PRESS J AM CHEM S

[5] REALISTIC SIMULATIONS OF NATIVE-PROTEIN DYNAMICS IN SOLUTION AND BEYOND [J].

DAGGETT, V ;

LEVITT, M .

ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 1993, 22 :353-380

[6] PARTICLE MESH EWALD - AN N.LOG(N) METHOD FOR EWALD SUMS IN LARGE SYSTEMS [J].

DARDEN, T ;

YORK, D ;

PEDERSEN, L .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12) :10089-10092

[7] TWO-DIMENSIONAL H-1-NMR STUDY OF HUMAN UBIQUITIN - A MAIN CHAIN DIRECTED ASSIGNMENT AND STRUCTURE-ANALYSIS [J].

DISTEFANO, DL ;

WAND, AJ .

BIOCHEMISTRY, 1987, 26 (23) :7272-7281

[8]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

[9] ON ACHIEVING BETTER THAN 1-ANGSTROM ACCURACY IN A SIMULATION OF A LARGE PROTEIN - STREPTOMYCES-GRISEUS PROTEASE-A [J].

KITSON, DH ;

AVBELJ, F ;

MOULT, J ;

NGUYEN, DT ;

MERTZ, JE ;

HADZI, D ;

HAGLER, AT .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1993, 90 (19) :8920-8924

[10] A NANOSECOND MOLECULAR-DYNAMICS TRAJECTORY FOR A B-DNA DOUBLE HELIX - EVIDENCE FOR SUBSTATES [J].

MCCONNELL, KJ ;

NIRMALA, R ;

YOUNG, MA ;

RAVISHANKER, G ;

BEVERIDGE, DL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (10) :4461-4462

← 1 2 3 →