Marco Klähn

On the mechanism of hydrolysis of phosphate monoesters dianions in solutions and proteins.

Arieh Warshel, Edina Rosta, A. Warshel, 2006, Journal of the American Chemical Society.

Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions.

Arieh Warshel, Edina Rosta, A. Warshel, 2006, The journal of physical chemistry. B.

On possible pitfalls in ab initio quantum mechanics/molecular mechanics minimization approaches for studies of enzymatic reactions.

Arieh Warshel, Edina Rosta, A. Warshel, 2005, The journal of physical chemistry. B.

A new concise expression for the free energy of a reaction coordinate

Jürgen Schlitter, J. Schlitter, Marco Klähn, 2003 .

IR Spectra of Phosphate Ions in Aqueous Solution: Predictions of a DFT/MM Approach Compared with Observations

Paul Tavan, Klaus Gerwert, Gerald Mathias, 2004 .