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Casper Steinmann

Showing results (1-10 of 31) with videos related to

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Journal of Chemical Theory and Computation|November 18, 2015
Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical ApproachesCasper Steinmann, Jacob Kongsted
The Journal of Physical Chemistry. A|February 9, 2017
Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann
Plos One|June 5, 2014
Inhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibitionVasanthanathan Poongavanam, Casper Steinmann, Jacob Kongsted
Magnetic Resonance in Chemistry : MRC|April 30, 2021
The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se, and BrCasper Steinmann, Stephan P A Sauer
Journal of Chemical Theory and Computation|May 18, 2018
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD SimulationsCasper Steinmann, Martin A Olsson, Ulf Ryde
Journal of Chemical Theory and Computation|November 19, 2015
Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding PotentialCasper Steinmann, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
The Journal of Chemical Physics|September 17, 2018
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methodsJimmy C Kromann, Casper Steinmann, Jan H Jensen
Plos One|April 18, 2013
Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistryCasper Steinmann, Dmitri G Fedorov, Jan H Jensen
The Journal of Physical Chemistry. A|May 8, 2010
Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methodsCasper Steinmann, Dmitri G Fedorov, Jan H Jensen
Plos One|July 31, 2012
The effective fragment molecular orbital method for fragments connected by covalent bondsCasper Steinmann, Dmitri G Fedorov, Jan H Jensen
Pageof 4

Showing results (1-10 of 31) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|November 18, 2015
Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical ApproachesCasper Steinmann, Jacob Kongsted
The Journal of Physical Chemistry. A|February 9, 2017
Mapping Interaction Energies in Chorismate Mutase with the Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann
Plos One|June 5, 2014
Inhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibitionVasanthanathan Poongavanam, Casper Steinmann, Jacob Kongsted
Magnetic Resonance in Chemistry : MRC|April 30, 2021
The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se, and BrCasper Steinmann, Stephan P A Sauer
Journal of Chemical Theory and Computation|May 18, 2018
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD SimulationsCasper Steinmann, Martin A Olsson, Ulf Ryde
Journal of Chemical Theory and Computation|November 19, 2015
Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding PotentialCasper Steinmann, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
The Journal of Chemical Physics|September 17, 2018
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methodsJimmy C Kromann, Casper Steinmann, Jan H Jensen
Plos One|April 18, 2013
Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistryCasper Steinmann, Dmitri G Fedorov, Jan H Jensen
The Journal of Physical Chemistry. A|May 8, 2010
Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methodsCasper Steinmann, Dmitri G Fedorov, Jan H Jensen
Plos One|July 31, 2012
The effective fragment molecular orbital method for fragments connected by covalent bondsCasper Steinmann, Dmitri G Fedorov, Jan H Jensen
Pageof 4