introd. textbooks on modelling?

Bill Ross bross at splatter.nas.nasa.gov
Thu Jun 15 19:52:29 EST 1995


|>      Hello.  I am new to this field.  Are there good introductory books on
|> the principles and methods of molecular modelling, esp. with regard to
|> biological molecules?
|>      I would like to model a small drug molecule which binds to DNA.  To
|> do modelling, I need various parameters for this drug, in the form of
|> geometric/energetic constraints and charge distribution.  How does one go
|> about getting these parameters or a reasonable approximation thereof?  

See 'literature' under http://www.amber.ucsf.edu/amber/0Net/list.html
Also 2 levels up, see http://www.amber.ucsf.edu/amber/ - sections
on parameter development and charge derivation.

Bill Ross



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