Jan H. Jensen
Orcid: 0000-0002-1465-1010Affiliations:
- University of Copenhagen, Denmark
According to our database1,
Jan H. Jensen
authored at least 14 papers
between 1993 and 2023.
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Bibliography
2023
Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets.
J. Cheminformatics, December, 2023
2021
RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions.
J. Cheminformatics, 2021
2017
J. Chem. Inf. Model., August, 2017
2014
Rationalization of the p<i>K</i><sub>a</sub> Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid p<i>K</i><sub>a</sub>'s.
J. Chem. Inf. Model., 2014
2013
PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure.
J. Comput. Chem., 2013
2012
FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations
CoRR, 2012
2010
Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation.
J. Comput. Chem., 2010
2008
Proceedings of the 2008 IEEE International Conference on Electro/Information Technology, 2008
2007
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations.
Nucleic Acids Res., 2007
2006
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO).
J. Comput. Chem., 2006
2004
Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation.
J. Comput. Chem., 2004
2003
Intraprotein electrostatics derived from first principles: Divide-and-conquer approaches for QM/MM calculations.
J. Comput. Chem., 2003
1993