Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 Systems chemical biology.

Literature DB >> 17637771

Systems chemical biology.

Tudor I Oprea¹, Alexander Tropsha, Jean-Loup Faulon, Mark D Rintoul.

Abstract

The increasing availability of data related to genes, proteins and their modulation by small molecules has provided a vast amount of biological information leading to the emergence of systems biology and the broad use of simulation tools for data analysis. However, there is a critical need to develop cheminformatics tools that can integrate chemical knowledge with these biological databases and simulation approaches, with the goal of creating systems chemical biology.

Mesh：

Substances：
Peptide Library

Year: 2007 PMID： 17637771 PMCID： PMC2734506 DOI： 10.1038/nchembio0807-447

Source DB: PubMed Journal: Nat Chem Biol ISSN： 1552-4450 Impact factor: 15.040

26 in total

Review 1. Cheminformatics: a tool for decision-makers in drug discovery.

Authors: T Olsson; T I Oprea
Journal: Curr Opin Drug Discov Devel Date: 2001-05

2. BRENDA, the enzyme database: updates and major new developments.

Authors: Ida Schomburg; Antje Chang; Christian Ebeling; Marion Gremse; Christian Heldt; Gregor Huhn; Dietmar Schomburg
Journal: Nucleic Acids Res Date: 2004-01-01 Impact factor: 16.971

3. SVM-Prot: Web-based support vector machine software for functional classification of a protein from its primary sequence.

Authors: C Z Cai; L Y Han; Z L Ji; X Chen; Y Z Chen
Journal: Nucleic Acids Res Date: 2003-07-01 Impact factor: 16.971

4. Integrating high-throughput and computational data elucidates bacterial networks.

Authors: Markus W Covert; Eric M Knight; Jennifer L Reed; Markus J Herrgard; Bernhard O Palsson
Journal: Nature Date: 2004-05-06 Impact factor: 49.962

5. SDPpred: a tool for prediction of amino acid residues that determine differences in functional specificity of homologous proteins.

Authors: Olga V Kalinina; Pavel S Novichkov; Andrey A Mironov; Mikhail S Gelfand; Aleksandra B Rakhmaninova
Journal: Nucleic Acids Res Date: 2004-07-01 Impact factor: 16.971

Review 6. Integrating virtual screening in lead discovery.

Authors: Tudor I Oprea; Hans Matter
Journal: Curr Opin Chem Biol Date: 2004-08 Impact factor: 8.822

7. NIH Molecular Libraries Initiative.

Authors: Christopher P Austin; Linda S Brady; Thomas R Insel; Francis S Collins
Journal: Science Date: 2004-11-12 Impact factor: 47.728

8. Computational assignment of the EC numbers for genomic-scale analysis of enzymatic reactions.

Authors: Masaaki Kotera; Yasushi Okuno; Masahiro Hattori; Susumu Goto; Minoru Kanehisa
Journal: J Am Chem Soc Date: 2004-12-22 Impact factor: 15.419

9. Biological spectra analysis: Linking biological activity profiles to molecular structure.

Authors: Anton F Fliri; William T Loging; Peter F Thadeio; Robert A Volkmann
Journal: Proc Natl Acad Sci U S A Date: 2004-12-29 Impact factor: 11.205

10. Interlinked fast and slow positive feedback loops drive reliable cell decisions.

Authors: Onn Brandman; James E Ferrell; Rong Li; Tobias Meyer
Journal: Science Date: 2005-10-21 Impact factor: 47.728

49 in total

1. Mining relational paths in integrated biomedical data.

Authors: Bing He; Jie Tang; Ying Ding; Huijun Wang; Yuyin Sun; Jae Hong Shin; Bin Chen; Ganesh Moorthy; Judy Qiu; Pankaj Desai; David J Wild
Journal: PLoS One Date: 2011-12-06 Impact factor: 3.240

2. Of possible cheminformatics futures.

Authors: Tudor I Oprea; Olivier Taboureau; Cristian G Bologa
Journal: J Comput Aided Mol Des Date: 2011-12-30 Impact factor: 3.686

3. Grand challenge commentary: Beyond discovery: probes that see, grab and poke.

Authors: Joshua A Kritzer
Journal: Nat Chem Biol Date: 2010-12 Impact factor: 15.040

Review 4. Network-based approaches in drug discovery and early development.

Authors: J M Harrold; M Ramanathan; D E Mager
Journal: Clin Pharmacol Ther Date: 2013-09-11 Impact factor: 6.875

5. Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening.

Authors: Jui-Hua Hsieh; Xiang S Wang; Denise Teotico; Alexander Golbraikh; Alexander Tropsha
Journal: J Comput Aided Mol Des Date: 2008-03-13 Impact factor: 3.686

6. Assembling the pieces.

Authors: Dennis J Thiele; Jonathan D Gitlin
Journal: Nat Chem Biol Date: 2008-03 Impact factor: 15.040

7. QSAR modeling: where have you been? Where are you going to?

Authors: Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal: J Med Chem Date: 2014-01-06 Impact factor: 7.446

8. The presynaptic component of the serotonergic system is required for clozapine's efficacy.

Authors: Prem N Yadav; Atheir I Abbas; Martilias S Farrell; Vincent Setola; Noah Sciaky; Xi-Ping Huang; Wesley K Kroeze; LaTasha K Crawford; David A Piel; Michael J Keiser; John J Irwin; Brian K Shoichet; Evan S Deneris; Jay Gingrich; Sheryl G Beck; Bryan L Roth
Journal: Neuropsychopharmacology Date: 2010-11-03 Impact factor: 7.853

9. A systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growth.

Authors: Elebeoba E May; Andrei Leitão; Alexander Tropsha; Tudor I Oprea
Journal: Comput Biol Chem Date: 2013-09-04 Impact factor: 2.877

Review 10. Integrative approaches for predicting in vivo effects of chemicals from their structural descriptors and the results of short-term biological assays.

Authors: Yen Sia Low; Alexander Yeugenyevich Sedykh; Ivan Rusyn; Alexander Tropsha
Journal: Curr Top Med Chem Date: 2014 Impact factor: 3.295