Short ELIXIR CZ workshop about in silico drug design.Karel BerkaJindřich FanfrlíkMartin LepšíkProgram (KFC/ADD 4 ECTS credits)Monday 1.2.201613:00 Drug design – intro (Berka)14:00 Databases of small molecules (ZINC), drug representations (Berka)15:00 Properties of biologically active compounds (Fanfrlik)16:00 Biomolecular targets (Lepšík)17:00 Training – target database search (Berka)Tuesday 2.2.2016 9:00 Noncovalent interactions in drug-target binding (Fanfrlík)10:00 Molecular docking intro (Berka)11:00 Training – visualization and simple docking (Berka)12:30 Lunch break14:00 Advanced docking flexibility, consensus, ensemble docking (Fanfrlík)15:00 Advanced scoring (WaterMap, MM-PBSA, FEP, QM) (Lepšík)16:00 Training scoring (Lepšík)Wednesday 3.2.2016 9:00 QSAR, ADMET (Berka)10:00 Advanced virtual screening (Fanfrlík)11:00 Future of drug design (Lepšík) Registration on email: [email protected] posterNote: Dates at poster were postponed to 1st 3rd February 2016 due to health issue of one of the organizers.
5ADD workshop/challenge (3.2.-7.2.2020) is focused on the use of in silico drug design tools and approaches in the drug design. We will cover both structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) and
projít na článekWorkshop on advanced in silico drug design ligand-based (QSAR, pharmacophores) and structure-based (molecular modelling, molecular docking).Advanced in silico drug design workshopKarel Berka UPOLPavlo Polishchuk UPOLJana Vrbková UPOLMartin Lepšík IOC
projít na článek4ADD workshop/hackathon (21.1.-25.1.2019) is focused on the use of in silico drug design tools and approaches in the drug design and optimization. Workshop will cover both structure-based drug design (molecular docking, molecular dynamics, structural bioi
projít na článek6ADD workshop/challenge (30.1.-3.2.2023) is focused on using in silico tools and approaches in drug design. We will cover both structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) and ligand-based drug desig
projít na článekMartin Lepšík IOCB AS CRJindřich Fanfrlík IOCB AS CRKarel Berka UPOLPavel Polishchuk UPOLAttendance of the event is free of charge. Lecture room holds up to 36 seats.Program starts on Monday 30 January 2017 at 13 hLectures (1,5 h each)Drug design int
projít na článek