|Pacific Northwest National Laboratory: Grand Challenge Project Complex Enzymatic Reactions More…|
- Modellierung von Host: Guest Wechselwirkungen
- contributions to our software package CESIP (cellular simulation package) that has an object-oriented-design in C++ .
- for theoretical chemists/physicists: improvements of our Q-HOP molecular dynamics method in biomolecules , , , , .
- applications of Q-HOP technology with package
- protein-protein docking applications using the package
- ab initio pair potential for residue-residue interactions
- implementation and testing of this potential for protein-protein docking and brownian dynamics simulations
- phosphate transfer reactions catalyzed by kinases , ,
Almost all of these projects are areas for future Bachelor-, Master- and Diploma theses.