A SIMPLE METHOD FOR THE REPRESENTATION, QUANTIFICATION, AND COMPARISON OF THE VOLUMES AND SHAPES OF CHEMICAL-COMPOUNDS

被引：110

作者：

STOUCH, TR ^{[1
]}

JURS, PC ^{[1
]}

机构：

[1] PENN STATE UNIV,UNIVERSITY PK,PA 16802

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1986年 / 26卷 / 01期

关键词：

D O I：

10.1021/ci00049a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4 / 12

页数：9

共 12 条

BARINO, L .

COMPUTERS & CHEMISTRY, 1981, 5 (2-3) :85-90

[2] SOLVENT-ACCESSIBLE SURFACES OF PROTEINS AND NUCLEIC-ACIDS [J].

CONNOLLY, ML .

[3]

HENRY D, UNPUB

HOPFINGER, AJ .

[5]

HOPFINGER AJ, 1982, MOL PHARMACOL, V21, P187

[6]

Kier L.B., 1976, MOL CONNECTIVITY CHE

[7] GENERATION AND COMPARISON OF SPACE-FILLING MOLECULAR-MODELS [J].

MARSILI, M ;

FLOERSHEIM, P ;

DREIDING, AS .

COMPUTERS & CHEMISTRY, 1983, 7 (04) :175-181

[8] SOME USES OF A BEST MOLECULAR FIT ROUTINE [J].

NYBURG, SC .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, B 30 (JAN15) :251-253

[9]

Pearlman R.S., 1980, PHYSICAL CHEM PROPER, P321

[10]

RYAN TA, 1985, MINITAB HDB