Welcome to BioSIM, the Biomolecular SIMulations Research Group. We are a team of computational and theoretical chemists dedicated to bridging the gap between theory and experiment in the field of chemistry, physics, and biology. Our mission is to apply state-of-the-art computational tools to tackle challenges in enzymatic catalysis and drug discovery.

At BioSIM, we specialize in a range of computational techniques, including Quantum Mechanics, Molecular Mechanics, QM/MM, Molecular Docking, and Virtual Screening. By combining these methods with our expertise in Enzymatic Catalysis, we strive to provide innovative solutions to complex chemical and biological problems. In addition to our research work, we also offer various services to the scientific community.

Our computational tools and databases, such as the Biofilms Database and LegionellaDB, are invaluable resources for researchers in the field. Browse through our latest publications and meet our dedicated team of experts who have made significant contributions to the field. Join us in exploring the fascinating world of Theoretical and Computational Chemistry at BioSIM