ADL: Vina Question

Arjun Subramaniam arjunsubway at gmail.com
Mon Feb 10 21:32:48 PST 2014


Hello,

I am a high school student who is conducting biological research at
Stanford, and I am hoping to use computer simulations to augment the
biological work. Thanks for creating such a great software - It really is
remarkable.

One question - How do we analyze the results? I seem to be given a list of
modes and the binding affinities and rmsd values of each mode, but I don't
quite know what they mean. Are negative binding affinities like -10
indicative of better or worse ligand-receptor binding than values like -4,
or is it specific to each situation? And if it is specific to each
situation, how do we figure out how good the binding affinity is?

Thank you,
Arjun

-- 
Do or do not. There is no try - Master Yoda


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