Keynote lecture at: The Exploring Mechanisms in Biology Theory and Experiment A Meeting of the Molecular Graphics and Modeling Society Bioinformatics Institute (BII) - A*STAR - Biopolis - Singapore November 25th-27th 2015 http://mgms-sing2015.bii.a-star.edu.sg/MGMS_BookOfAbstracts_FINAL.pdf
B.04 Guest lecture
COBISS.SI-ID: 1538116804Finding: Impact of society •Women pay high price for success (choosing family or carrier). •Women cannot readily get a position without connections. •Family obligations impact status. •Conservative society. Success is measured in time not efficiency. •Women have to put much more effort and energy (sic to get ahead). •Leadership can have problems with maternity leave which lasts usually 1 year. •Lack of flexibility in jobs (working time, work from home) in Slovenia. •The greatest sexism in Slovenia is between females. Women do not support each other well enough; even women prefer to support men.
B.03 Paper at an international scientific conference
COBISS.SI-ID: 1538118084We developed LiSiCA (Ligand Similarity using Clique Algorithm) - ligand-based virtual screening software that uses a fast maximum clique algorithm to find two- and three-dimensional similarities between pairs of molecules and applied it to the discovery of novel potent butyrylcholinesterase inhibitors. LiSiCA, which runs in parallel on multiple processor cores, was successfully tested on the Database of Useful Decoys - Enhanced, to evaluate its ability to discriminate active molecules from decoys. We then applied LiSiCA for the discovery of novel inhibitors of human butyrylcholinesterase, a promising anti-Alzheimer target, using a known inhibitor as the reference compound. We demonstrated that LiSiCA is capable of finding potent nanomolar inhibitors, whose scaffolds differed from the reference compound, thus proving its ability for scaffold hopping and usefulness in drug discovery.
F.01 Acquisition of new practical knowledge, information and skills
COBISS.SI-ID: 3893361