Despite numerous successes, virtual screening retains important weaknesses and continues to be challenging to use even for "good" targets. For certain types of projects (details below), virtual screening is unlikely to be successful, in our view. This is one reason why we always have a frank discussion about the pros and cons of a project before we agree to start.
Without being exhaustive, here are some cases where we are inclinded to discourage the client from pursuing a virtual screening project with us. For example:
While not complete "show stoppers", we would strongly caution our client to reconsider the project if any of these conditions were true. Sometimes, by working together, the project can be modified to have a higher likelihood of success - for example, by targeting an alternative site on the protein or by delaying the work until a crystal structure becomes available, as appropriate.
In other cases, while we do not outright reject going forward with a virtual screening campaign, we caution our client that the project is particularly challenging. For example:
In these cases, we may still be prepared to proceed with the project, but we would advise our client to obtain additional or corroborating experimental evidence as soon as possible, to help guide the project.Contact us