Quasi 4D-QSAR and 3D-QSAR study of the pan class I phosphoinositide-3-kinase (PI3K) inhibitors
Author:
Publisher
Springer Science and Business Media LLC
Subject
Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics
Link
http://link.springer.com/content/pdf/10.1007/s00044-012-0151-6.pdf
Reference41 articles.
1. Andrade CH, Pasqualoto KFM, Ferreira EI, Hopfinger AJ (2010) 4D-QSAR: perspectives in drug design. Molecules 15:3281–3294
2. Berendsen HJC, Postma JPM, Van Gunsteren WF, DiNola A, Haak J (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81:3684
3. Bhonsle JB, Wang Z, Tamamura H, Fujii N, Peiper SC, Trent JO (2005) A simple, automated quasi-4D-QSAR, quasi-multi way PLS approach to develop highly predictive QSAR models for highly flexible CXCR4 inhibitor Cyclic Pentapeptide Ligands Using Scripted Common Molecular Modeling Tools. QSAR Comb Sci 24:620–630
4. Cantley LC (2002) The phosphoinositide 3-kinase pathway. Science 296:1655
5. Clark M, Cramer RD III, Van Opdenbosch N (1989) Validation of the general purpose Tripos 5.2 force field. J Comput Chem 10:982–1012
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