Hi guy,
somebody can help me good papers for performing ensemble docking, using g_cluster module of gromacs and how do a Markov state model analysis from drug-target interaction.
Please.
Here is an introduction to an open access MSM building software:
http://publications.imp.fu-berlin.de/1737/1/15_JCTC_SchererEtAl_PyEMMA2.pdf
with GOLD, you can also apply ensemble docking
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kindly reply me. Thanking you in advance.
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