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Thursday, February 07, 2008

(Re) Setting up a Free Molecular Modelling Workstation

Four years ago, I sent an e-mail to the Computational Chemistry List (CCL) asking for preferably FREE or reasonably priced software under Linux or Windows to set up a molecular modelling project within a "wetlab" research group.

I was going to work with ligand-protein complexes and I needed manipulation software, doking and molecular mechanics (geometry optimization and molecular dynamics) software.

At that moment, I did not know from where to start. Now, I have got some research results and hope to publish a paper as sooner as possible, meanwhile I'll post some tips on my path to set up a molecular modelling workstation with limited resources.

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