Casper Steinmann

University of Southern Denmark, Odense, Denmark 
Computational Chemistry
"Casper Steinmann"
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Jan H. Jensen grad student 2012 Copenhagen University
Jacob Kongsted post-doc 2013-2015 (Physics Tree)
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Reinholdt P, Kjellgren ER, Steinmann C, et al. (2020) Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments. Journal of Chemical Theory and Computation
Stendevad J, Kongsted J, Steinmann C. (2019) Combining polarizable embedding with the Frenkel exciton model: applications to absorption spectra with overlapping solute–solvent bands Theoretical Chemistry Accounts. 138
Kromann JC, Steinmann C, Jensen JH. (2018) Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods. The Journal of Chemical Physics. 149: 104102
Poongavanam V, Corona A, Steinmann C, et al. (2018) Structure-guided approach identifies a novel class of HIV-1 ribonuclease H inhibitors: binding mode insights through magnesium complexation and site-directed mutagenesis studies. Medchemcomm. 9: 562-575
Steinmann C, Olsson MA, Ryde U. (2018) Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations. Journal of Chemical Theory and Computation
Steinmann C, Reinholdt P, Nørby MS, et al. (2018) Response properties of embedded molecules through the polarizable embedding model International Journal of Quantum Chemistry. 119: e25717
Nørby MS, Olsen JMH, Steinmann C, et al. (2017) Modeling electronic circular dichroism within the polarizable embedding approach. Journal of Chemical Theory and Computation
Pruitt SR, Steinmann C. (2017) Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital Method. The Journal of Physical Chemistry. A
Witzke S, List NH, Olsen JM, et al. (2017) An averaged polarizable potential for multiscale modeling in phospholipid membranes. Journal of Computational Chemistry
Nåbo LJ, List NH, Steinmann C, et al. (2017) Computational approach to evaluation of optical properties of membrane probes. Journal of Chemical Theory and Computation
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