共 27 条
CALCULATION OF FREE-ENERGY SURFACES USING THE METHODS OF THERMODYNAMIC PERTURBATION-THEORY
被引:82
作者:

TOBIAS, DJ
论文数: 0 引用数: 0
h-index: 0

BROOKS, CL
论文数: 0 引用数: 0
h-index: 0
机构:
关键词:
D O I:
10.1016/0009-2614(87)80646-2
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:472 / 476
页数:5
相关论文
共 27 条
[1]
CALCULATION OF THE RELATIVE CHANGE IN BINDING FREE-ENERGY OF A PROTEIN-INHIBITOR COMPLEX
[J].
BASH, PA
;
SINGH, UC
;
BROWN, FK
;
LANGRIDGE, R
;
KOLLMAN, PA
.
SCIENCE,
1987, 235 (4788)
:574-576

BASH, PA
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA

SINGH, UC
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA

BROWN, FK
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA

LANGRIDGE, R
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA

KOLLMAN, PA
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
[2]
SODIUM-CHLORIDE ION-PAIR INTERACTION IN WATER - COMPUTER-SIMULATION
[J].
BERKOWITZ, M
;
KARIM, OA
;
MCCAMMON, JA
;
ROSSKY, PJ
.
CHEMICAL PHYSICS LETTERS,
1984, 105 (06)
:577-580

BERKOWITZ, M
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004

KARIM, OA
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004

MCCAMMON, JA
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004

ROSSKY, PJ
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
[3]
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

BROOKS, BR
论文数: 0 引用数: 0
h-index: 0

BRUCCOLERI, RE
论文数: 0 引用数: 0
h-index: 0

OLAFSON, BD
论文数: 0 引用数: 0
h-index: 0

STATES, DJ
论文数: 0 引用数: 0
h-index: 0

SWAMINATHAN, S
论文数: 0 引用数: 0
h-index: 0

KARPLUS, M
论文数: 0 引用数: 0
h-index: 0
[4]
THERMODYNAMICS OF IONIC SOLVATION - MONTE-CARLO SIMULATIONS OF AQUEOUS CHLORIDE AND BROMIDE IONS
[J].
BROOKS, CL
.
JOURNAL OF PHYSICAL CHEMISTRY,
1986, 90 (25)
:6680-6684

BROOKS, CL
论文数: 0 引用数: 0
h-index: 0
[5]
THEORETICAL-EXAMINATION OF THE SN2 REACTION INVOLVING CHLORIDE-ION AND METHYL-CHLORIDE IN THE GAS-PHASE AND AQUEOUS-SOLUTION
[J].
CHANDRASEKHAR, J
;
SMITH, SF
;
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985, 107 (01)
:154-163

CHANDRASEKHAR, J
论文数: 0 引用数: 0
h-index: 0

SMITH, SF
论文数: 0 引用数: 0
h-index: 0

JORGENSEN, WL
论文数: 0 引用数: 0
h-index: 0
[6]
ENERGY PROFILE FOR A NONCONCERTED SN2 REACTION IN SOLUTION
[J].
CHANDRASEKHAR, J
;
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985, 107 (10)
:2974-2975

CHANDRASEKHAR, J
论文数: 0 引用数: 0
h-index: 0

JORGENSEN, WL
论文数: 0 引用数: 0
h-index: 0
[7]
THERMODYNAMICS OF AQUEOUS SOLVATION - SOLUTION PROPERTIES OF ALCOHOLS AND ALKANES
[J].
FLEISCHMAN, SH
;
BROOKS, CL
.
JOURNAL OF CHEMICAL PHYSICS,
1987, 87 (05)
:3029-3037

FLEISCHMAN, SH
论文数: 0 引用数: 0
h-index: 0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

BROOKS, CL
论文数: 0 引用数: 0
h-index: 0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
[8]
MONTE-CARLO SIMULATION OF DIFFERENCES IN FREE-ENERGIES OF HYDRATION
[J].
JORGENSEN, WL
;
RAVIMOHAN, C
.
JOURNAL OF CHEMICAL PHYSICS,
1985, 83 (06)
:3050-3054

JORGENSEN, WL
论文数: 0 引用数: 0
h-index: 0

RAVIMOHAN, C
论文数: 0 引用数: 0
h-index: 0
[9]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .29. MONTE-CARLO SIMULATION OF N-BUTANE IN WATER - CONFORMATIONAL EVIDENCE FOR THE HYDROPHOBIC EFFECT
[J].
JORGENSEN, WL
.
JOURNAL OF CHEMICAL PHYSICS,
1982, 77 (11)
:5757-5765

JORGENSEN, WL
论文数: 0 引用数: 0
h-index: 0
[10]
HYDRATION OF CHLORIDE AND BROMIDE ANIONS - DETERMINATION OF RELATIVE FREE-ENERGY BY COMPUTER-SIMULATION
[J].
LYBRAND, TP
;
GHOSH, I
;
MCCAMMON, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985, 107 (25)
:7793-7794

LYBRAND, TP
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004 UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004

GHOSH, I
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004 UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004

MCCAMMON, JA
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004 UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004