Casper Steinmann

Affiliations: 
University of Southern Denmark, Odense, Denmark 
Area:
Computational Chemistry
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"Casper Steinmann"
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SNBCP

Parents

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Jan H. Jensen grad student 2012 Copenhagen University
Jacob Kongsted post-doc 2013-2015 (Physics Tree)
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Publications

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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
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
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
Steinmann C, Bratholm LA, Olsen JM, et al. (2016) Automated Fragmentation Polarizable Embedding DFT Calculations of NMR Shielding Constants of Proteins with Application to Chemical Shift Predictions. Journal of Chemical Theory and Computation
Nørby MS, Steinmann C, Olsen JM, et al. (2016) Computational approach for studying optical properties of DNA systems in solution. Journal of Chemical Theory and Computation
Steinmann C, Kongsted J. (2015) Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical Approaches. Journal of Chemical Theory and Computation. 11: 4283-93
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