News Publication: Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach . In this study, Spitaleri and co-workers report on the development and application of innovative computational tools to study protein-ligand and protein-peptide binding via enhanced MD using MD-Binding protocol.
Publication: BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. 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 othe
We are hiring!