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BROWNIAN DYNAMICS SIMULATIONS - STATISTICAL ERROR OF CORRELATION-FUNCTIONS
被引:26
作者
:
LEE, S
论文数:
0
引用数:
0
h-index:
0
LEE, S
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1984年
/ 81卷
/ 12期
关键词
:
D O I
:
10.1063/1.447563
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:6106 / 6118
页数:13
相关论文
共 47 条
[31]
MOTIONAL AVERAGING OF PROTON NUCLEAR OVERHAUSER EFFECTS IN PROTEINS - PREDICTIONS FROM A MOLECULAR-DYNAMICS SIMULATION OF LYSOZYME
[J].
OLEJNICZAK, ET
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
OLEJNICZAK, ET
;
DOBSON, CM
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
DOBSON, CM
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
;
LEVY, RM
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
LEVY, RM
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(07)
:1923
-1930
[32]
PASTOR RC, UNPUB
[33]
THEORY OF HYDROPHOBIC EFFECT
[J].
PRATT, LR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
PRATT, LR
;
CHANDLER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
CHANDLER, D
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(08)
:3683
-3704
[34]
NUMERICAL-INTEGRATION OF CARTESIAN EQUATIONS OF MOTION OF A SYSTEM WITH CONSTRAINTS - MOLECULAR-DYNAMICS OF N-ALKANES
[J].
RYCKAERT, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
RYCKAERT, JP
;
CICCOTTI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
CICCOTTI, G
;
BERENDSEN, HJC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
BERENDSEN, HJC
.
JOURNAL OF COMPUTATIONAL PHYSICS,
1977,
23
(03)
:327
-341
[35]
MOLECULAR-DYNAMICS OF LIQUID ALKANES
[J].
RYCKAERT, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
RYCKAERT, JP
;
BELLEMANS, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
BELLEMANS, A
.
FARADAY DISCUSSIONS,
1978,
66
:95
-106
[36]
MONTE-CARLO STUDIES ON STRUCTURE OF A DILUTE AQUEOUS-SOLUTION OF METHANE
[J].
SWAMINATHAN, S
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
SWAMINATHAN, S
;
HARRISON, SW
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
HARRISON, SW
;
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
BEVERIDGE, DL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(18)
:5705
-5712
[37]
A COMPUTER-SIMULATION METHOD FOR THE CALCULATION OF EQUILIBRIUM-CONSTANTS FOR THE FORMATION OF PHYSICAL CLUSTERS OF MOLECULES - APPLICATION TO SMALL WATER CLUSTERS
[J].
SWOPE, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
SWOPE, WC
;
ANDERSEN, HC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
ANDERSEN, HC
;
BERENS, PH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
BERENS, PH
;
WILSON, KR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
WILSON, KR
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(01)
:637
-649
[38]
BROWNIAN DYNAMICS - ITS APPLICATION TO IONIC-SOLUTIONS
[J].
TURQ, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 06, ELECTROCHIM LAB, EQUIPE RECH 310, F-75230 PARIS 05, FRANCE
TURQ, P
;
LANTELME, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 06, ELECTROCHIM LAB, EQUIPE RECH 310, F-75230 PARIS 05, FRANCE
LANTELME, F
;
FRIEDMAN, HL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 06, ELECTROCHIM LAB, EQUIPE RECH 310, F-75230 PARIS 05, FRANCE
FRIEDMAN, HL
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(07)
:3039
-3044
[39]
ALGORITHMS FOR BROWNIAN DYNAMICS
[J].
VANGUNSTEREN, WF
论文数:
0
引用数:
0
h-index:
0
VANGUNSTEREN, WF
;
BERENDSEN, HJC
论文数:
0
引用数:
0
h-index:
0
BERENDSEN, HJC
.
MOLECULAR PHYSICS,
1982,
45
(03)
:637
-647
[40]
EFFECT OF CONSTRAINTS, SOLVENT AND CRYSTAL ENVIRONMENT ON PROTEIN DYNAMICS
[J].
VANGUNSTEREN, WF
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
VANGUNSTEREN, WF
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
NATURE,
1981,
293
(5834)
:677
-678
←
1
2
3
4
5
→
共 47 条
[31]
MOTIONAL AVERAGING OF PROTON NUCLEAR OVERHAUSER EFFECTS IN PROTEINS - PREDICTIONS FROM A MOLECULAR-DYNAMICS SIMULATION OF LYSOZYME
[J].
OLEJNICZAK, ET
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
OLEJNICZAK, ET
;
DOBSON, CM
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
DOBSON, CM
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
;
LEVY, RM
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
LEVY, RM
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(07)
:1923
-1930
[32]
PASTOR RC, UNPUB
[33]
THEORY OF HYDROPHOBIC EFFECT
[J].
PRATT, LR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
PRATT, LR
;
CHANDLER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
CHANDLER, D
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(08)
:3683
-3704
[34]
NUMERICAL-INTEGRATION OF CARTESIAN EQUATIONS OF MOTION OF A SYSTEM WITH CONSTRAINTS - MOLECULAR-DYNAMICS OF N-ALKANES
[J].
RYCKAERT, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
RYCKAERT, JP
;
CICCOTTI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
CICCOTTI, G
;
BERENDSEN, HJC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
BERENDSEN, HJC
.
JOURNAL OF COMPUTATIONAL PHYSICS,
1977,
23
(03)
:327
-341
[35]
MOLECULAR-DYNAMICS OF LIQUID ALKANES
[J].
RYCKAERT, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
RYCKAERT, JP
;
BELLEMANS, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
UNIV LIBRE BRUXELLES, FAC SCI, B-1050 BRUSSELS, BELGIUM
BELLEMANS, A
.
FARADAY DISCUSSIONS,
1978,
66
:95
-106
[36]
MONTE-CARLO STUDIES ON STRUCTURE OF A DILUTE AQUEOUS-SOLUTION OF METHANE
[J].
SWAMINATHAN, S
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
SWAMINATHAN, S
;
HARRISON, SW
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
HARRISON, SW
;
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY,HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
BEVERIDGE, DL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(18)
:5705
-5712
[37]
A COMPUTER-SIMULATION METHOD FOR THE CALCULATION OF EQUILIBRIUM-CONSTANTS FOR THE FORMATION OF PHYSICAL CLUSTERS OF MOLECULES - APPLICATION TO SMALL WATER CLUSTERS
[J].
SWOPE, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
SWOPE, WC
;
ANDERSEN, HC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
ANDERSEN, HC
;
BERENS, PH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
BERENS, PH
;
WILSON, KR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
WILSON, KR
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(01)
:637
-649
[38]
BROWNIAN DYNAMICS - ITS APPLICATION TO IONIC-SOLUTIONS
[J].
TURQ, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 06, ELECTROCHIM LAB, EQUIPE RECH 310, F-75230 PARIS 05, FRANCE
TURQ, P
;
LANTELME, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 06, ELECTROCHIM LAB, EQUIPE RECH 310, F-75230 PARIS 05, FRANCE
LANTELME, F
;
FRIEDMAN, HL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 06, ELECTROCHIM LAB, EQUIPE RECH 310, F-75230 PARIS 05, FRANCE
FRIEDMAN, HL
.
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(07)
:3039
-3044
[39]
ALGORITHMS FOR BROWNIAN DYNAMICS
[J].
VANGUNSTEREN, WF
论文数:
0
引用数:
0
h-index:
0
VANGUNSTEREN, WF
;
BERENDSEN, HJC
论文数:
0
引用数:
0
h-index:
0
BERENDSEN, HJC
.
MOLECULAR PHYSICS,
1982,
45
(03)
:637
-647
[40]
EFFECT OF CONSTRAINTS, SOLVENT AND CRYSTAL ENVIRONMENT ON PROTEIN DYNAMICS
[J].
VANGUNSTEREN, WF
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
VANGUNSTEREN, WF
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
NATURE,
1981,
293
(5834)
:677
-678
←
1
2
3
4
5
→