doi: 10.1007/BF01532086.
An investigation into the construction of molecular models by the template joining method
Affiliations
- PMID: 3199152
- DOI: 10.1007/BF01532086
Item in Clipboard
An investigation into the construction of molecular models by the template joining method
J Comput Aided Mol Des.
1988 Jul.
Abstract
The results of a wide-ranging investigation into some of the different methods available for performing the 'joining' of templates to build molecular models show that the choice of algorithm can significantly affect the quality of the results obtained, and different algorithms are most suited to particular categories of join.
Similar articles
-
A rapid method for the computation, comparison and display of molecular volumes.J Mol Graph. 1989 Jun;7(2):113-7. doi: 10.1016/s0263-7855(89)80015-3. J Mol Graph. 1989. PMID: 2488264
-
FLUFF-BALL, a template-based grid-independent superposition and QSAR technique: validation using a benchmark steroid data set.J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):1780-93. doi: 10.1021/ci034027o. J Chem Inf Comput Sci. 2003. PMID: 14632424
-
Synthesis beyond the molecule.Science. 2002 Mar 29;295(5564):2403-7. doi: 10.1126/science.1069197. Science. 2002. PMID: 11923525
-
Computer simulation of liquid crystals.J Comput Aided Mol Des. 1989 Dec;3(4):335-53. doi: 10.1007/BF01532020. J Comput Aided Mol Des. 1989. PMID: 2699618 Review.
-
Physicochemical effects in the representation of molecular structures for drug designing.Mini Rev Med Chem. 2003 Dec;3(8):789-96. doi: 10.2174/1389557033487656. Mini Rev Med Chem. 2003. PMID: 14529498 Review.
Cited by
-
Constitutional, configurational and conformational analysis of transition metal coordination complexes.J Comput Aided Mol Des. 1993 Apr;7(2):225-40. doi: 10.1007/BF00126446. J Comput Aided Mol Des. 1993. PMID: 8320558
-
Current methods for site-directed structure generation.J Comput Aided Mol Des. 1994 Aug;8(4):467-75. doi: 10.1007/BF00125381. J Comput Aided Mol Des. 1994. PMID: 7815098 Review.
-
A fast and efficient method to generate biologically relevant conformations.J Comput Aided Mol Des. 1994 Oct;8(5):583-606. doi: 10.1007/BF00123667. J Comput Aided Mol Des. 1994. PMID: 7876902
-
Automated conformational analysis: algorithms for the efficient construction of low-energy conformations.J Comput Aided Mol Des. 1990 Sep;4(3):271-82. doi: 10.1007/BF00125015. J Comput Aided Mol Des. 1990. PMID: 2280264
-
BUILDER v.2: improving the chemistry of a de novo design strategy.J Comput Aided Mol Des. 1995 Jun;9(3):269-82. doi: 10.1007/BF00124457. J Comput Aided Mol Des. 1995. PMID: 7561978
References
-
- J Comput Aided Mol Des. 1987 Apr;1(1):73-85 - PubMed