CCL: difference between molecular modelling and molecular simulation
- From: "srinivas raju g"
<raju.g.srinivas^^^gmail.com>
- Subject: CCL: difference between molecular modelling and molecular
simulation
- Date: Fri, 10 Nov 2006 09:04:30 -0500
Sent to CCL by: "srinivas raju g" [raju.g.srinivas,gmail.com]
hi,
i have just finished my Masters in chemistry and wish to take up computational
chem. for research. i need little clarification in this regard. can someone
explain the difference ( if any) between "molecular modelling" and
"molecular simulation" . as far as i know "molecular
simulation" is generally associated with liquids and gases but
"molecular modelling" is associated with proteins organic molecules
etc. can anyone explain their differences ( in terms of what one does during
research in these areas). how are these two different in terms of application to
industry? For example, is molecular dynamics/simulation applicable to drug
design?
regards,
srinivas raju.g