BiKi Technologies is actively involved in research and development. Since 2014 we support applied research for the development of biomedical simulation methods via agreements with academic institutions.
Investigating Drug–Target Residence Time in Kinases through Enhanced Sampling Simulations. In this study by Gobbo and co-workers reported a novel method based on adiabatic bias MD with an electrostatics-like collective variable (dubbed elABMD) for sampling protein–ligand dissociation events in two kinases. elABMD correctly ranked a ligand series on glucokinase, in agreement with experimental data and previous calculations.
Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes. In this study, we combine X-ray crystallography with molecular dynamics to investigate structural and energetic properties of drug candidates binding to tubulin, a validated target for the discovery of anticancer medicines. In particular, we study plinabulin, colchicine, and combretastatin-A4, analyzing their mechanism of binding to tubulin, which potentially explains their different functional and safety profiles. We further provide a protocol to study novel tubulin-targeted drugs (Chem)
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods. In this study Bonati et al from Bicocca University of Milan exploited BiKi Life Sciences to shed light on Pregnane X Receptor (Scientific Report)
Binding kinetics of cariprazine and aripiprazole at the dopamine D3 receptor. In this study A. Frank et al from Heinrich Heine University Düsseldorf exploited BiKi Life Sciences to study binding event through our BiKi MD-Binding to GPCR D3. (Scientific Report)
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.This represents the BiKi Life Sciences paper. (JCIM)