04 April 2014 2 2K Report

I'm looking for software to evaluate synthetic accessibility for molecules that are created as a computational de novo drug design.

More Javad Maleki's questions See All
Does anyone have experience with unconventional RMSD?

I can be used Gromacs programs and Gromos96 for molecular dynamics simulations of protein-ligand complexes . After 10 nanoseconds of 20 nanoseconds of time that we have Obtain an unusual RMSD,...

05 June 2014 9,785 6 View

Can anyone aid me in understanding and solving some Grompp errors?

I have a protein-ligand complex. When I run the grompp program, I am encounter with this error: Ignoring obsolete mdp entry 'title' What's this error about, and how I can solve it? Another...

04 May 2014 3,015 8 View

Can anyone suggest me DNA drug design methods and softwares?

I'm following all the procedures and programs for the design of drugs that are used in DNA and RNA.

31 December 2013 3,990 2 View

Can anybody help me how to install GROMACS-4.6.4 on fedora?

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11 December 2013 1,647 5 View

How can I design a new hit compound?

How does one change a compound of drugs designed to be able to design new compounds to be better than our earlier designed of proteins binding? In other words, what are the criteria that must be...

10 November 2013 5,107 2 View

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