These nodes have been developed within the research group at Vernalis. The functionality provided has been of use in our own fragment- and structure-based drug discovery work; and by releasing the nodes it is our hope that others may find them of use too.
The nodes fall into three general categories:
The current list of node categories and nodes is shown below. Clicking on a category heading takes you to the corresponding position in the detailed description page.
A more detailed description of the nodes can be found here.
Any questions about the nodes can be posted on the Vernalis KNIME forum, or sent to the developers by e-mail. We currently have a number of unreleased nodes at various stages of development – so if you don’t see what you need, please ask!
Some simple example workflows can be found on the KNIME Public server, which can be accessed from the KNIME Explorer menu in KNIME Desktop. Once you have logged-in as guest, please look for 099_Community/11_Vernalis.
As a Trusted Community Contribution, you may find that you already have access to the stable version of the Vernalis KNIME nodes! If not, or for further information on installing either the stable release or the very latest features (but not guaranteed stable), please see the KNIME Community Contributions page.
We are a world leader in structure and fragment-based drug discovery. We have generated six development candidates in the past 4 years and cell-active lead compounds against 13 different targets. Our successes include projects in close collaboration with companies such as Lundbeck, Novartis, Servier, Genentech and Asahi Kasei Pharma. Our strengths are in developing and applying the most appropriate structure-based methods to work with our partners to solve problems in drug discovery.
Release notes and changelog can be found here.
The source code can be accessed at https://anonymous:firstname.lastname@example.org/svn/nodes4knime/trunk/com.vernalis.
The Vernalis nodes are released under GPLv3.