Jacob Kongsted

Orcid: 0000-0002-7725-2164

According to our database1, Jacob Kongsted authored at least 12 papers between 2007 and 2020.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2020
Modeling the Sterol-Binding Domain of Aster-A Provides Insight into Its Multiligand Specificity.
J. Chem. Inf. Model., 2020

2017
An averaged polarizable potential for multiscale modeling in phospholipid membranes.
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
How accurate are continuum solvation models for drug-like molecules?
J. Comput. Aided Mol. Des., 2009

An improved method to predict the entropy term with the MM/PBSA approach.
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


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