BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery
Research output: Contribution to journal › Article › peer-review
Colleges, School and Institutes
- Istituto Italiano di Tecnologia
- BiKi Technologies S.r.l.
- Università di Bologna
In this paper, we introduce the BiKi Life Sciences suite. This software makes it easy for computational medicinal chemists to run ad hoc molecular dynamics protocols in a novel and task-oriented environment; as a notebook, BiKi (acronym of Binding Kinetics) keeps memory of any activity together with dependencies among them. It offers unique accelerated protein-ligand binding/unbinding methods and other useful tools to gain actionable knowledge from molecular dynamics simulations and to simplify the drug discovery process.
|Number of pages||6|
|Journal||Journal of Chemical Information and Modeling|
|Early online date||17 Jan 2018|
|Publication status||Published - 26 Feb 2018|