Jacob Kongsted

Publication Activity (10 Years)

Years Active: 2007-2020
Publications (10 Years): 5

Top Topics

Domain Independent

Error Estimation

Modeling Method

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Laust Moesgaard, Peter Reinholdt, Daniel Wüstner, Jacob Kongsted
Modeling the Sterol-Binding Domain of Aster-A Provides Insight into Its Multiligand Specificity. J. Chem. Inf. Model. 60 (4) (2020)
Sarah Witzke, Nanna Holmgaard List, Jógvan Magnus H. Olsen, Casper Steinmann, Michael Petersen, Maarten T. P. Beerepoot, Jacob Kongsted
An averaged polarizable potential for multiscale modeling in phospholipid membranes. J. Comput. Chem. 38 (9) (2017)
Dalibor Hrsak, Jógvan Magnus H. Olsen, Jacob Kongsted
Optimization and transferability of non-electrostatic repulsion in the polarizable density embedding model. J. Comput. Chem. 38 (24) (2017)
Morten S. Nørby, Jógvan Magnus H. Olsen, Jacob Kongsted, Hans Jorgen Aagard Jensen
Multipole moments for embedding potentials: Exploring different atomic allocation algorithms. J. Comput. Chem. 37 (20) (2016)
Nina P. L. Junager, Jacob Kongsted, Kira Astakhova
Revealing Nucleic Acid Mutations Using Förster Resonance Energy Transfer-Based Probes. Sensors 16 (8) (2016)
Morten N. Pedersen, Erik D. Hedegård, Jacob Kongsted
Basis set error estimation for DFT calculations of electronic g-tensors for transition metal complexes. J. Comput. Chem. 35 (25) (2014)
Janus Juul Eriksen, Stephan P. A. Sauer, Kurt V. Mikkelsen, Hans Jorgen Aagard Jensen, Jacob Kongsted
On the importance of excited state dynamic response electron correlation in polarizable embedding methods. J. Comput. Chem. 33 (25) (2012)
Janus Juul Eriksen, Jógvan Magnus H. Olsen, Kestutis Aidas, Hans Ågren, Kurt V. Mikkelsen, Jacob Kongsted
Computational protocols for prediction of solute NMR relative chemical shifts. A case study of L-tryptophan in aqueous solution. J. Comput. Chem. 32 (13) (2011)
Hanna Kjær, Stephan P. A. Sauer, Jacob Kongsted
-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation. J. Comput. Chem. 32 (15) (2011)
Jacob Kongsted, Pär Söderhjelm, Ulf Ryde
How accurate are continuum solvation models for drug-like molecules? J. Comput. Aided Mol. Des. 23 (7) (2009)
Jacob Kongsted, Ulf Ryde
An improved method to predict the entropy term with the MM/PBSA approach. J. Comput. Aided Mol. Des. 23 (2) (2009)
Kestutis Aidas, Kurt V. Mikkelsen, Jacob Kongsted
Modelling spectroscopic properties of large molecular systems. The combined Density Functional Theory/Molecular Mechanics approach. J. Comput. Methods Sci. Eng. 7 (2) (2007)