CROWN ETHER NEUTRAL MOLECULE INTERACTIONS STUDIED BY MOLECULAR MECHANICS, NORMAL MODE ANALYSIS, AND FREE-ENERGY PERTURBATION CALCULATIONS - NEAR QUANTITATIVE AGREEMENT BETWEEN THEORY AND EXPERIMENTAL BINDING FREE-ENERGIES

被引：83

作者：

GROOTENHUIS, PDJ ^{[1
]}

KOLLMAN, PA ^{[1
]}

机构：

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

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1989年 / 111卷 / 11期

关键词：

D O I：

10.1021/ja00193a042

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：4046 / 4051

页数：6

相关论文

共 83 条

[41] MOLECULAR MECHANICAL STUDIES OF INCLUSION OF ALKALI CATIONS INTO ANISOLE SPHERANDS
KOLLMAN, PA
WIPFF, G
SINGH, UC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (08) : 2212 - 2219
[42] KOLLMAN PA, 1988, IUPAC M NATURAL PROD
[43] DO NITROMETHANE AND MALONITRILE FORM C-H ... O HYDROGEN-BONDS - IMPLICATIONS FOR MOLECULAR RECOGNITION BY CROWN ETHERS
KUMPF, RA
DAMEWOOD, JR
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1988, (09) : 621 - 622
[44] SUPRAMOLECULAR CHEMISTRY - SCOPE AND PERSPECTIVES MOLECULES, SUPERMOLECULES, AND MOLECULAR DEVICES
LEHN, JM
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1988, 27 (01) : 89 - 112
[45] LESCZYFISKI J, 1981, J MOL STRUC-THEOCHEM, V85, P211
[46] HYDRATION OF CHLORIDE AND BROMIDE ANIONS - DETERMINATION OF RELATIVE FREE-ENERGY BY COMPUTER-SIMULATION
LYBRAND, TP
GHOSH, I
MCCAMMON, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) : 7793 - 7794
[47] THEORETICAL CALCULATION OF RELATIVE BINDING-AFFINITY IN HOST GUEST SYSTEMS
LYBRAND, TP
MCCAMMON, JA
WIPFF, G
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1986, 83 (04) : 833 - 835
[48] McCammon J.A., 1987, DYNAMICS PROTEINS NU
[49] COMPUTER-AIDED MOLECULAR DESIGN
MCCAMMON, JA
[J]. SCIENCE, 1987, 238 (4826) : 486 - 491
[50] MONTE-CARLO STUDY OF FREE-ENERGY OF HYDRATION FOR LI+, NA+, K+, F-, AND CL-WITH ABINITIO POTENTIALS
MIGLIORE, M
CORONGIU, G
CLEMENTI, E
LIE, GC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12) : 7766 - 7771

← 1 2 3 4 5 6 7 8 9 →