| User Opinions |
100%
0%
(51 votes)
|
|
Thank you for rating this answer.
|
CORINA_F and CORINA are two different tools both developed by Molecular Networks GmbH. All functionality covered by CORINA-F is also in CORINA . For FlexX/SIS docking, CORINA_F is sufficient as long as you have another tool for minimizing input structures prior to docking.
CORINA -F can be obtained directly from BioSolveIT at very low cost.
For more details, please read on.
CORINA_F is a low-cost, feature-reduced version of CORINA specifically designed to go with FlexX.
In combination with FlexX/SIS it is exclusively used to deal with ring conformer generation - a task FlexX/SIS cannot perform
by their own today.
Compared to the full-featured program CORINA, the CORINA_F version has the following major restrictions:
* CORINA_F does not support batch processing of compounds. Only one molecule per run will be processed, e.g., during a docking experiment with FlexX. However, this does NOT mean that you cannot do virtual
screening in parallel using this version, because FlexX/SIS call a ring conformer generator based on a "one-ring,one-call" policy.
* The compound to be treated has to contain excactly one ring system (fused, bridged and spiro rings are considered to be one ring system).
In FlexX/SIS, this is automatically the case, because single ring systems are piped to CORINA_F.
* Single ring systems (i.e., also the individual ring systems of used, bridged or spiro ring systems, the members of the SSSR) which exhibit up to nine ring atoms are allowed.
* Exocyclic parts exceeding two bonds are not allowed.
CORINA can also be used by FlexX but is more expensive than CORINA_F.
CORINA has to be obtained through Molecoular Networks. However, since we have a very good relationship with MolNet, we will be happy to communicate your query.
|
Search the Knowledgebase
Browse by Category
Print this page
Email this page
Post a comment
Subscribe me
Remove from favorites