raccoon 1.0b-3 (i386 binary) in ubuntu bionic
The field of computational biology is all about modeling
physiochemical entities. Structural biology is about how
those entities look in 3D and behave. Assume a specific
behaviour (and only this) of a drug can be changed in a
defined way.
.
Some good part of the characterisation of promising
drug-like compounds for their interaction with a larger protein
can be done on computers. This package helps with getting
collections of small ligands prepared to be fitted against
a particular protein of known structure. That docking itself
is then to be performed by autodock or autodock-vina.
.
Raccoon may not find the drug, but it may well find a
lead to it. To have this package with Debian shall help
smaller biochemistry labs and grants an opportunity for the
general public to educate itself and/or actively join in to
help the world .... just a bit.
Details
- Package version:
- 1.0b-3
- Status:
- Published
- Component:
- multiverse
- Priority:
- Extra
Downloadable files
- raccoon_1.0b-3_all.deb (53.5 KiB)