Jacob Kongsted
Orcid: 0000-0002-7725-2164
According to our database1,
Jacob Kongsted
authored at least 13 papers
between 2007 and 2024.
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Bibliography
2024
Introducing SpaceGA: A Search Tool to Accelerate Large Virtual Screenings of Combinatorial Libraries.
J. Chem. Inf. Model., 2024
2020
Modeling the Sterol-Binding Domain of Aster-A Provides Insight into Its Multiligand Specificity.
J. Chem. Inf. Model., 2020
2017
J. Comput. Chem., 2017
Optimization and transferability of non-electrostatic repulsion in the polarizable density embedding model.
J. Comput. Chem., 2017
2016
Revealing Nucleic Acid Mutations Using Förster Resonance Energy Transfer-Based Probes.
Sensors, 2016
Multipole moments for embedding potentials: Exploring different atomic allocation algorithms.
J. Comput. Chem., 2016
2014
Basis set error estimation for DFT calculations of electronic g-tensors for transition metal complexes.
J. Comput. Chem., 2014
2012
On the importance of excited state dynamic response electron correlation in polarizable embedding methods.
J. Comput. Chem., 2012
2011
The coupling constant polarizability and hyperpolarizabilty of <sup>1</sup><i>J</i>(NH) in <i>N</i>-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation.
J. Comput. Chem., 2011
Computational protocols for prediction of solute NMR relative chemical shifts. A case study of L-tryptophan in aqueous solution.
J. Comput. Chem., 2011
2009
J. Comput. Aided Mol. Des., 2009
J. Comput. Aided Mol. Des., 2009
2007
Modelling spectroscopic properties of large molecular systems. The combined Density Functional Theory/Molecular Mechanics approach.
J. Comput. Methods Sci. Eng., 2007