AUTOMATED CONFORMATIONAL-ANALYSIS - ALGORITHMS FOR THE EFFICIENT CONSTRUCTION OF LOW-ENERGY CONFORMATIONS

被引：21

作者：

LEACH, AR ^{[1
]}

PROUT, K ^{[1
]}

DOLATA, DP ^{[1
]}

机构：

[1] CHEM CRYSTALLOG LAB,9 PARKS RD,OXFORD OX1 3PD,ENGLAND

来源：

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 1990年 / 4卷 / 03期

关键词：

Artificial Intelligence; Conformational analysis; PROLOG; Template joining;

D O I：

10.1007/BF00125015

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The method of constructing low-energy conformations using template joining can provide an efficient means of searching the conformational space of molecules. The simplest algorithm to perform this task would construct each potential conformation from scratch. However, new algorithms, some of which use techniques from Artificial Intelligence, have been developed which can greatly improve the efficiency of this approach. © 1990 ESCOM Science Publishers B.V.

引用

页码：271 / 282

页数：12

共 5 条

[1]

Dolata D.P., Leach A.R., Prout K., J. Comput.-Aided Mol. Design, 1, (1987)

[2]

Leach A.R., Prout K., Dolata D.P., J. Comput.-Aided Mol. Design, 2, (1988)

[3]

Leach A.R., Prout K., Dolata D.P., The application of Artificial Intelligence to the conformational analysis of strained molecules, Journal of Computational Chemistry, 11, (1990)

[4]

De Kleer J., Artif. Intell., 28, (1986)

[5]

Koschmann T., Snyder J.P., Johnson P., Grace T., Evens M.W., J. Mol. Graph., 6, 2, (1988)

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