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Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities., , , and . Journal of Computational Chemistry, 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 . Journal of Computational Chemistry, 32 (7): 1303-1319 (2011)CHARMM: The biomolecular simulation program., , , , , , , , , and 25 other author(s). Journal of Computational Chemistry, 30 (10): 1545-1614 (2009)Web-Based Computational Chemistry Education with CHARMMing I: Lessons and Tutorial., , , , , , , , , and . PLoS Computational Biology, (2014)Non-Boltzmann sampling and Bennett's acceptance ratio method: How to profit from bending the rules., and . Journal of Computational Chemistry, 32 (6): 1082-1090 (2011)Avoiding the van der Waals endpoint problem using serial atomic insertion., and . Journal of Computational Chemistry, 32 (11): 2449-2458 (2011)Unorthodox uses of Bennett's acceptance ratio method., , and . Journal of Computational Chemistry, 30 (11): 1712-1718 (2009)Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration., and . Journal of Computational Chemistry, 32 (7): 1320-1333 (2011)Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations., , , , , , and . Journal of Chemical Information and Modeling, 57 (2): 365-385 (2017)Comparison of thermodynamic integration and Bennett's acceptance ratio for calculating relative protein-ligand binding free energies., , and . Journal of Computational Chemistry, 34 (12): 1024-1034 (2013)