Looking to buy the best computational and molecular docking studies for my QSAR studies for my molecule.
In my opinion Schrodinger is the best option if you can afford it. However, if your budget is limited than ICM (Molsoft) is one of the best options. It costs only around 3000$ and can achieve better docking results than Glide. Other good options are Molegro's MVD for docking and MDM for QSAR. MVD is also CUDA ported. I personally tested it and the CUDA version achieve really good results and 17x speed up!
Good Luck
autodock for docking
and CDK and weka for QSAR need more help write at [email protected]
Auto dock doesn't help much So I have shifted to Molegro.
QSAR I have to try thank you
http://www.schrodinger.com/.
Schrodinger is very nice for docking, homolgy modeling, pharmacophore-based drug design, co-hoping, .... you can get full trail version as well
Vlife MDS is very nice for QSAR and Group-based QSAR, Interaction term-based QSAR, ...
In our research group, we have used Pymol, Molecular docking VINA.. and for ligand optimization we have used GAMESS. hope help
In my opinion Schrodinger is the best option if you can afford it. However, if your budget is limited than ICM (Molsoft) is one of the best options. It costs only around 3000$ and can achieve better docking results than Glide. Other good options are Molegro's MVD for docking and MDM for QSAR. MVD is also CUDA ported. I personally tested it and the CUDA version achieve really good results and 17x speed up!
Good Luck
I always use AutoDock version 3 and now version 4 for docking. It is a freeware and easy to perform. The Vina version is the newest and faster than the older version but lack of some parameters [e.g Ki].
I've tried MOE too.
go ahead with efficiency values of the software, every software has its efficiency rate from in silico to in vivo by that even AUTODOCK is the best as it is freely available and developed by scientists. The efficiency values are confidential with manufacturers, you have to ask them before purchasing
Any one can please tell me whats QSAR software price. Maximum or minimum
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