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A SURFACE CONSTRAINED ALL-ATOM SOLVENT MODEL FOR EFFECTIVE SIMULATIONS OF POLAR SOLUTIONS
被引:449
作者
:
KING, G
论文数:
0
引用数:
0
h-index:
0
KING, G
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
WARSHEL, A
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1989年
/ 91卷
/ 06期
关键词
:
D O I
:
10.1063/1.456845
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:3647 / 3661
页数:15
相关论文
共 46 条
[1]
GENERALIZED LANGEVIN MODELS AND CONDENSED-PHASE CHEMICAL-REACTION DYNAMICS
[J].
ADELMAN, SA
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0
引用数:
0
h-index:
0
ADELMAN, SA
;
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
.
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(09)
:1511
-1524
[2]
CHEMICAL-REACTION DYNAMICS IN LIQUID SOLUTION
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
.
ADVANCES IN CHEMICAL PHYSICS,
1983,
53
:61
-223
[3]
GENERALIZED LANGEVIN THEORY FOR MANY-BODY PROBLEMS IN CHEMICAL-DYNAMICS - REACTIONS IN LIQUIDS
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(07)
:3145
-3158
[4]
MOLECULAR-DYNAMICS SIMULATION OF DIELECTRIC-PROPERTIES OF WATER
[J].
ANDERSON, J
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT NUCL ENGN,CAMBRIDGE,MA 02139
ANDERSON, J
;
ULLO, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT NUCL ENGN,CAMBRIDGE,MA 02139
ULLO, JJ
;
YIP, S
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT NUCL ENGN,CAMBRIDGE,MA 02139
YIP, S
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(03)
:1726
-1732
[5]
MOLECULAR-DYNAMICS SIMULATIONS OF TIPS2 WATER RESTRICTED BY A SPHERICAL HYDROPHOBIC BOUNDARY
[J].
BELCH, AC
论文数:
0
引用数:
0
h-index:
0
BELCH, AC
;
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
.
CHEMICAL PHYSICS LETTERS,
1985,
113
(03)
:278
-282
[6]
Berendsen HJC., 1981, INTERACTION MODELS W, P331, DOI DOI 10.1007/978-94-015-7658-1-21
[7]
MOLECULAR-DYNAMICS WITH STOCHASTIC BOUNDARY-CONDITIONS
[J].
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
;
MCCAMMON, JA
论文数:
0
引用数:
0
h-index:
0
MCCAMMON, JA
.
CHEMICAL PHYSICS LETTERS,
1982,
90
(03)
:215
-217
[8]
Volumes and hydration warmth of ions
[J].
Born, M
论文数:
0
引用数:
0
h-index:
0
Born, M
.
ZEITSCHRIFT FUR PHYSIK,
1920,
1
:45
-48
[9]
DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS
[J].
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:6312
-6325
[10]
STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER
[J].
BRUNGER, A
论文数:
0
引用数:
0
h-index:
0
BRUNGER, A
;
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
CHEMICAL PHYSICS LETTERS,
1984,
105
(05)
:495
-500
←
1
2
3
4
5
→
共 46 条
[1]
GENERALIZED LANGEVIN MODELS AND CONDENSED-PHASE CHEMICAL-REACTION DYNAMICS
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
;
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
.
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(09)
:1511
-1524
[2]
CHEMICAL-REACTION DYNAMICS IN LIQUID SOLUTION
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
.
ADVANCES IN CHEMICAL PHYSICS,
1983,
53
:61
-223
[3]
GENERALIZED LANGEVIN THEORY FOR MANY-BODY PROBLEMS IN CHEMICAL-DYNAMICS - REACTIONS IN LIQUIDS
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(07)
:3145
-3158
[4]
MOLECULAR-DYNAMICS SIMULATION OF DIELECTRIC-PROPERTIES OF WATER
[J].
ANDERSON, J
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT NUCL ENGN,CAMBRIDGE,MA 02139
ANDERSON, J
;
ULLO, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT NUCL ENGN,CAMBRIDGE,MA 02139
ULLO, JJ
;
YIP, S
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT NUCL ENGN,CAMBRIDGE,MA 02139
YIP, S
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(03)
:1726
-1732
[5]
MOLECULAR-DYNAMICS SIMULATIONS OF TIPS2 WATER RESTRICTED BY A SPHERICAL HYDROPHOBIC BOUNDARY
[J].
BELCH, AC
论文数:
0
引用数:
0
h-index:
0
BELCH, AC
;
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
.
CHEMICAL PHYSICS LETTERS,
1985,
113
(03)
:278
-282
[6]
Berendsen HJC., 1981, INTERACTION MODELS W, P331, DOI DOI 10.1007/978-94-015-7658-1-21
[7]
MOLECULAR-DYNAMICS WITH STOCHASTIC BOUNDARY-CONDITIONS
[J].
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
;
MCCAMMON, JA
论文数:
0
引用数:
0
h-index:
0
MCCAMMON, JA
.
CHEMICAL PHYSICS LETTERS,
1982,
90
(03)
:215
-217
[8]
Volumes and hydration warmth of ions
[J].
Born, M
论文数:
0
引用数:
0
h-index:
0
Born, M
.
ZEITSCHRIFT FUR PHYSIK,
1920,
1
:45
-48
[9]
DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS
[J].
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:6312
-6325
[10]
STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER
[J].
BRUNGER, A
论文数:
0
引用数:
0
h-index:
0
BRUNGER, A
;
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
CHEMICAL PHYSICS LETTERS,
1984,
105
(05)
:495
-500
←
1
2
3
4
5
→