Casper Steinmann
Affiliations: | University of Southern Denmark, Odense, Denmark |
Area:
Computational ChemistryGoogle:
"Casper Steinmann"Mean distance: 10.57 | S | N | B | C | P |
Parents
Sign in to add mentorJan H. Jensen | grad student | 2012 | Copenhagen University |
Jacob Kongsted | post-doc | 2013-2015 | (Physics Tree) |
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Publications
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Li F, Ackloo S, Arrowsmith CH, et al. (2024) CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein. Journal of Chemical Information and Modeling |
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 |