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Laboratory of Computational Biology

Description of the Group

We develop and use computational tools for studies of 3D structure of biomolecules and their dynamics. Our interests embrace broad aspects of computational biology, from molecular simulations to data analysis. Read more at the laboratory website: http://lcbio.pl/

Research Activities

  • structure prediction of proteins and their complexes
  • molecular docking: protein-peptide, protein-protein, protein-small ligand
  • molecular dynamics: all-atom and coarse-grained methods
  • development and design of computational tools: easy-to-use web servers and advanced standalone applications
  • structure-based drug design
  • rational protein design
  • bioinformatic support of experimental studies
  • biostatistics
  • scientific databases
  • big data analysis

Offer

  • Support of drug design using computer methods
  • Support for structural biology research by using bioinformatic methods and molecular modeling
  • Development of software dedicated to simulation of proteins and other biological systems
  • Development of web-servers for computer support of drug design and biological research support
  • Development of biological databases
  • Analysis and prediction of protein properties
  • Protein modeling and engineering
  • Statistical analysis of biological data
  • Use of a supercomputer to simulate biological systems
  • Use of a supercomputer for biological data analysis
  • Visualization of biological data

Team Leader

Sebastian Kmiecik received his doctorate in 2007 at the Faculty of Chemistry of the University of Warsaw. In 2007-2010, he worked in Selvita, a biotechnology company, where he directed R&D projects that included software development and drug design support services. From 2010, he worked on new methods of multiscale modeling of proteins at the Faculty of Chemistry, University of Warsaw. In 2015, Sebastian Kmiecik received a D.Sc. degree, and in 2016 the award of the Minister of Science and Higher Education for his scientific achievements of the first degree.