RELATIVE PARTITION-COEFFICIENTS FROM PARTITION-FUNCTIONS - A THEORETICAL APPROACH TO DRUG TRANSPORT

被引：41

作者：

ESSEX, JW

REYNOLDS, CA

RICHARDS, WG

机构：

[1] OXFORD CTR MOLEC SCI, S PARKS RD, OXFORD OX1 3QZ, ENGLAND

[2] PHYS CHEM LAB, OXFORD OX1 3QZ, ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1989年 / 16期

关键词：

D O I：

10.1039/c39890001152

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：1152 / 1154

页数：3

相关论文

共 25 条

[11] COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER
JORGENSEN, WL
CHANDRASEKHAR, J
MADURA, JD
IMPEY, RW
KLEIN, ML
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) : 926 - 935
[12] KORENMAN IM, 1974, J APPL CHEM-USSR+, V47, P2595
[13] MARTIN YC, 1978, QUANTITATIVE DRUG DE
[14] MOLECULAR-DYNAMICS CALCULATIONS FOR THE LIQUID AND CUBIC PLASTIC CRYSTAL PHASES OF CARBON-TETRACHLORIDE
MCDONALD, IR
BOUNDS, DG
KLEIN, ML
[J]. MOLECULAR PHYSICS, 1982, 45 (03) : 521 - 542
[15] POSTMA JPM, 1982, FARADAY SYMP CHEM S, P55, DOI 10.1039/fs9821700055
[16] FREE-ENERGY PERTURBATION CALCULATIONS ON BINDING AND CATALYSIS AFTER MUTATING ASN-155 IN SUBTILISIN
RAO, SN
SINGH, UC
BASH, PA
KOLLMAN, PA
[J]. NATURE, 1987, 328 (6130) : 551 - 554
[17] COMPUTED REDOX POTENTIALS AND THE DESIGN OF BIOREDUCTIVE AGENTS
REYNOLDS, CA
KING, PM
RICHARDS, WG
[J]. NATURE, 1988, 334 (6177) : 80 - 82
[18] AN APPROACH TO THE APPLICATION OF FREE-ENERGY PERTURBATION-METHODS USING MOLECULAR-DYNAMICS - APPLICATIONS TO THE TRANSFORMATIONS OF CH3OH-] CH3CH3, H3O+-] NH4+, GLYCINE-] ALANINE, AND ALANINE-] PHENYLALANINE IN AQUEOUS-SOLUTION AND TO H3O+(H2O)3-] NH4+(H2O)3 IN THE GAS-PHASE
SINGH, UC
BROWN, FK
BASH, PA
KOLLMAN, PA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (06) : 1607 - 1614
[19] SINGH UC, 1988, AMBER
[20] Tute M S, 1971, Adv Drug Res, V6, P1