Combating bioterrorism with personal computers

Journal of Molecular Graphics and Modelling

Volumn 22, Issue 6, 2004, Pages 473-478

  Richards, W Graham ^a   Grant, Guy H ^a   Harrison, Karl N ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Bioterrorism; In silico screening; Personal computers

Indexed keywords

PERSONAL COMPUTERS; PROTEINS; SILICON; VIRUSES;

BIOTERRORISM; SILICO SCREENING;

BIOTECHNOLOGY;

ANALYTIC METHOD; ANTHRAX; BIOLOGICAL WARFARE; COMBINATORIAL CHEMISTRY; CONFERENCE PAPER; MICROCOMPUTER; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN EXPRESSION; PROTEIN TARGETING; SCREENING TEST; SMALLPOX;

AMINO ACID SEQUENCE; ANTHRAX; BIOTERRORISM; COMPUTATIONAL BIOLOGY; DNA TOPOISOMERASES, TYPE I; DRUG DESIGN; HUMANS; MICROCOMPUTERS; MODELS, THEORETICAL; MOLECULAR SEQUENCE DATA; PROTEIN STRUCTURE, TERTIARY; SEQUENCE ALIGNMENT; SMALLPOX;

ANTHRAX; VARIOLA VIRUS;

EID: 2942620486     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.03.007     Document Type: Conference Paper

References (14)

1. Richards W.G. Virtual screening using GRID computing: the screensaver project. Nat. Rev. Drug Discov. 1:2002;551-555
2. United Devices (http://www.ud.com).
3. Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 23:1997;3-25
4. E.K. Davies, C.J. Davies, Ultra high throughput screening using THINK on the internet, Abstr. Pap. Am. Chem. Soc. 224 001-CINF, Part 1, 18 August 2002.
5. Venkatachalam C.M., Jiang T., Oldfield T., Waldman M. LigandFit: a novel method for the shape directed rapid docking of ligands to protein active sites. J. Mol. Graph. Model. 21:2003;289-307
6. Dolle R.E. Comprehensive survey of combinatorial library synthesis. J. Comb. Chem. 3:2000;477-517
7. Glick M., Robinson D.D., Grant G.H., Richards W.G. Identification of ligand binding sites on proteins using a multi-scale approach. J. Am. Chem. Soc. 124:2002;2337-2344
8. Glick M., Grant G.H., Richards W.G. Pinpointing anthrax-toxin inhibitors. Nat. Biotechnol. 20:2002;118-119
9. Petosa C., Collier R.J., Klimpel K.R., Leppla S.H., Liddington R.C. Crystal structure of the anthrax toxin protective antigen. Nature. 385:1997;833-838
10. Mogridge J., Cunningham K., Lacy D.B., Mourez M., Collier R.J. The lethal and edema factors of anthrax toxin bind only to oligomeric forms of the protective antigen. PNAS. 99:2002;7045-7048
11. Cheng C., Kussie P., Pavletch N., Shuman S. Conservation of structure and mechanism between eukaryotic topoisomerase I and site-specific recombinases. Cell. 92:1998;841-850
12. The SETI project, University of Berkeley (http://www.setiathome.ssl. berkeley.edu).
13. Distributed.net project (http://www.distributed.net).
14. Top500 supercomputers (http://www.top500.org/).