Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds-Reference-Cited by-同舟云学术

Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds

Published:1997-01-01 Issue:1 Volume:37 Page:80-86
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Hahn Mathew¹

Affiliation:

1. Molecular Simulations Incorporated, 9685 Scranton Road, San Diego, California 92121

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci960108r

Reference22 articles.

1. Burke, B.; Hopfinger, A.; Molecular Shape Analysis: A Formalism to Quantitatively Establish Spatial Molecular Similarity. InConcepts and Applications of Molecular Similarity; Johnson, M., Maggiora, G., Eds.; John Wiley and Sons: New York, 1990; pp 173−209.

2. The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules

3. A Gaussian Description of Molecular Shape

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