The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
Open accessAbstract
Pharmacophore modeling and 3D database searching are now recognized as integral components of lead discovery and lead optimization, and the continuing need for improved pharmacophore‐based tools has driven the development of PHASE. By employing a novel, tree‐based partitioning algorithm, PHASE exhaustively identifies spatial arrangements of functional groups that are common and essential to the biologic activity of a set of high affinity ligands. These pharmacophore hypotheses are validated in a number of ways, including their ability to: (i) rationalize the binding affinities of a training set of molecules of varying activity, (ii) successfully predict the affinities of a test set of molecules, and (iii) selectively retrieve known actives from a database of drug‐like molecules. In addition, PHASE uniquely offers the ability to distinguish multiple binding modes through a bi‐directional clustering approach applied to bit string representations of the ligand/hypothesis space.
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Pierce, A. C., Rao, G., & Bemis, G. W. (2004) · Journal of Medicinal Chemistry · doi:10.1021/jm030543u · Cited by 185
Design and Synthesis of 4-Azaindoles as Inhibitors of p38 MAP Kinase
Trejo, A., Arzeno, H. B., Browner, M. F., Chanda, S. M., Cheng, S., Comer, D. D., Dalrymple, S. A., Dunten, P., LaFargue, J., Lovejoy, B., et al. (2003) · Journal of Medicinal Chemistry · doi:10.1021/jm0301787 · Cited by 98
Cited by
QSAR Modeling: Where have you been? Where are you going to?
Cherkasov, A., Muratov, E. N., Fourches, D., Varnek, A., Baskin, I. I., Cronin, M., Dearden, J., Gramatica, P., Martin, Y. C., Todeschini, R., et al. (2014) · Journal of Medicinal Chemistry · doi:10.1021/jm4004285 · Cited by 2,164
Role of computer-aided drug design in modern drug discovery
Macalino, S. J. Y., Gosu, V., Hong, S., & Choi, S. (2015) · Archives of Pharmacal Research · doi:10.1007/s12272-015-0640-5 · Cited by 762
In silico methods and tools for drug discovery
Shaker, B., Ahmad, S., Lee, J., Jung, C., & Na, D. (2021) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2021.104851 · Cited by 607
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding
Miller, E. B., Murphy, R. B., Sindhikara, D., Borrelli, K. W., Grisewood, M. J., Ranalli, F., Dixon, S. L., Jerome, S., Boyles, N. A., Day, T., et al. (2021) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.1c00136 · Cited by 210
Self-citationNguyen, D. D., Cang, Z., Wu, K., Wang, M., Cao, Y., & Wei, G.-W. (2019) · Journal of Computer-Aided Molecular Design · doi:10.1007/s10822-018-0146-6 · Cited by 155
Metadata
- Authors
- Dixon, S. L., Smondyrev, A. M., & Rao, S. N.
- Venue
- Chemical Biology & Drug Design
- Publisher
- Wiley
- Published
- 2006-05
- Volume
- 67
- Issue
- 5
- Pages
- 370-372
- ISSN
- 1747-0277 (ISSN-L)
- 1747-0285
- OpenAlex
- W1965607248
- Cited by
- 675
- References
- 2
- FWCI
- 8.54
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Dixon, S. L., Smondyrev, A. M., & Rao, S. N. (2006). PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching. Chemical Biology & Drug Design. https://doi.org/10.1111/j.1747-0285.2006.00384.x
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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