Author of the publication

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Presumed Versus Real Artifacts of the Ewald Summation Technique: The Importance of Dielectric Boundary Conditions, and . Ber. Bunsenges. Phys. Chem., 101 (7): 1019--29 (1997)Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration., and . J. Comput. Chem., 32 (7): 1320-1333 (2011)Comparison of thermodynamic integration and Bennett's acceptance ratio for calculating relative protein-ligand binding free energies., , and . J. Comput. Chem., 34 (12): 1024-1034 (2013)Web-Based Computational Chemistry Education with CHARMMing I: Lessons and Tutorial., , , , , , , , , and . PLoS Comput. Biol., (2014)Alchemical free energy simulations without speed limits. A generic framework to calculate free energy differences independent of the underlying molecular dynamics program., , , and . J. Comput. Chem., 43 (17): 1151-1160 (2022)CHARMM: The biomolecular simulation program., , , , , , , , , and 25 other author(s). J. Comput. Chem., 30 (10): 1545-1614 (2009)Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities., , , and . J. Comput. Chem., 38 (16): 1376-1388 (2017)Efficiency of alchemical free energy simulations. I. A practical comparison of the exponential formula, thermodynamic integration, and Bennett's acceptance ratio method., and . J. Comput. Chem., 32 (7): 1303-1319 (2011)SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 58 (8): 1682-1696 (2018)Non-Boltzmann sampling and Bennett's acceptance ratio method: How to profit from bending the rules., and . J. Comput. Chem., 32 (6): 1082-1090 (2011)