3. In silico analysis
• In silico = "performed on computer or via
computer simulation.“
• coined in 1989
• in vivo, in vitro, and in situ,
– experiments done in living organisms, outside
of living organisms, and where they are found
in nature, respectively.
• Defn : “Analysis performed using computers in
conjunction with informatics capabilities”.

4. • first used in public in 1989 in the workshop
"Cellular Automata: Theory and Applications"
in Los Alamos, New Mexico.
– "DNA and RNA Physicochemical Constraints,
Cellular Automata and Molecular Evolution“
• Pedro Miramontes

5. • In silico has been used in white papers written
to support the creation of bacterial genome
programs by the
• Commission of the European Community. The
first referenced paper where "in silico"
appears was written by a
• French team in 1991.[6] The first referenced
book chapter where "in silico" appears was
written by Hans B.

6. • Sieburg in 1990 and presented during a
Summer School on Complex Systems at the
Santa Fe Institute.[7]
• The phrase "in silico" originally applied only to
computer simulations that modeled natural or
laboratory
• processes (in all the natural sciences), and did
not refer to calculations done by computer
generically.

7. Drug discovery with virtual screening
• Potential to speed the rate of discovery reducing
expensive lab work and clinical trials.
• Producing and screening drug candidates
• Using EADock, -potential inhibitors to an enzyme
associated with cancer activity in silico.
• Differs from use of expensive robotic labs to
physically test thousands of diverse compounds a
day, following further testing

8. Cell models
• Efforts to establish computer models of
cellular behavior.
• In silico model of tuberculosis to aid in drug
discovery -faster than real time simulated
growth rates
– phenomena to be observed in minutes rather
than months

9. Genetics
• Digital genetic sequences obtained from DNA
sequencing may be
– stored in sequence databases, be analyzed
– digitally altered and/or
– used as templates for creating new actual DNA
Using artificial gene synthesis.

10. Other examples
In silico computer-based modeling technologies have
also been applied in:
• Whole cell analysis of prokaryotic and eukaryotic
hosts
– E. coli, B. subtilis, yeast, CHO- or human cell lines

11. • Bioprocess development and optimization
– optimization of product yields
• Analysis, interpretation and visualization of
heterologous data sets from various sources
– genome,
• transcriptome or proteome data