| We are interested in specific sugar-binding proteins, such as glycosyltransferases and lectins. The conformational behavior of the entire proteins is studied by molecular dynamics, whereas smaller parts of the systems are studied by quantum methods. Homology modeling of glycosyltransferases is used to explain their substrate specificity. Docking studies on lectins are applied to propose novel ligands, which could serve as potential antibiotics. First results of the molecular dynamics study on glycosyltransferases will be soon published in Carbohydrate Research. Results of quantum chemical calculation will be published in Biochemistry. |
