Welcome to the Gohlke group
Computational Pharmaceutical Chemistry and Molecular Bioinformatics
"Proposed signaling pathways within the large ribosomal subunit from the sites of a G2032A-C2499A double mutation, located > 10 Å away from the binding site of the oxazolidinone antibiotic linezolid, to the antibiotic. As investigated by molecular dynamics simulations and free energy calculations, the double mutation confers linezolid resistance by a complex set of structural, dynamic, and energetic effects that percolate to the binding site. Cross-talk between the two routes suggests that synergistic effects observed experimentally for the two mutations arise in an indirect manner. For further details please See here."