Tobias Benighaus
Max Planck Society(DE)Max-Planck-Institut für Kohlenforschung(DE)
Publications by Year
Research Areas
Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Metal-Catalyzed Oxygenation Mechanisms, Pharmacogenetics and Drug Metabolism
Most-Cited Works
- → Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation(2008)139 cited
- → Quantum mechanics/molecular mechanics dual Hamiltonian free energy perturbation(2013)58 cited
- → How is the Reactivity of Cytochrome P450cam Affected by Thr252X Mutation? A QM/MM Study for X = Serine, Valine, Alanine, Glycine(2009)52 cited
- → A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems(2009)52 cited
- → Long-Range Electrostatic Effects in QM/MM Studies of Enzymatic Reactions: Application of the Solvated Macromolecule Boundary Potential(2010)40 cited
- → Efficiency and Accuracy of the Generalized Solvent Boundary Potential for Hybrid QM/MM Simulations: Implementation for Semiempirical Hamiltonians(2008)39 cited
- → Interactions of Aromatic Radicals with Water(2013)22 cited
- → QM/MM Study of the Second Proton Transfer in the Catalytic Cycle of the D251N Mutant of Cytochrome P450cam(2009)18 cited
- → Coupling and uncoupling mechanisms in the methoxythreonine mutant of cytochrome P450cam: a quantum mechanical/molecular mechanical study(2009)17 cited
- Boundary Potentials for Hybrid Quantum Mechanical / Molecular Mechanical Simulations of Solvated Biomolecules(2011)