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Disambiguierung von "Hansen, Niels"

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On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues

, , , , , , , , , und . ChemPhysChem, (Dezember 2020)
DOI: 10.1002/cphc.202000968

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apl. Prof. Dr. -Ing. Niels Hansen University of Stuttgart

Dr. -Ing. Annette Nielsen University of Stuttgart

 

Weitere Publikationen von Autoren mit dem selben Namen

Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations, , und . Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, The Royal Society of Chemistry, (2017)Calculation of binding affinities for linear alcohols to alpha-cyclodextrin by twin-system enveloping distribution sampling simulations, und . Fluid phase equilibria, (2016)Interpretation of Seemingly Contradictory Data: Low NMR S-2 Order Parameters Observed in Helices and High NMR S-2 Order Parameters in Disordered Loops of the Protein hGH at Low pH, , , und . Chemistry - a European journal, 23 (40): 9585-9591 (2017)Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients, , , und . Journal of chemical information and modeling, 60 (11): 5319-5330 (2020)Free energy calculation methods and rare event sampling techniques for biomolecular simulations, , und . Simulating enzyme reactivity : Computational methods in enzyme catalysis, 9, The Royal Society of Chemistry, Cambridge, (2017)Validation of Molecular Simulation : an Overview of Issues, , , , , , und . Angewandte Chemie International Edition, 57 (4): 884-902 (2018)Thermophysical properties of glyceline-water mixtures investigated by molecular modelling, , , und . Physical Chemistry Chemical Physics, 21 (12): 6467-6476 (2019)Modeling and prediction of supramolecular complexes, und . (2015)Predicting and Rationalizing the Soret Coefficient of Binary Lennard-Jones Mixtures in the Liquid State, , , und . Advanced theory and simulations, 5 (11): 2200311 (2022)Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution, , , und . The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 122 (5): 1608-1626 (2018)