Jan H. Jensen

Publication Activity (10 Years)

Years Active: 1993-2023
Publications (10 Years): 3

Top Topics

Prediction Model

Real World Data Sets

Inherent Uncertainty

Mass Spectrometry

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Maria H. Rasmussen, Chenru Duan, Heather J. Kulik, Jan H. Jensen
Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets. J. Cheminformatics 15 (1) (2023)
Nicolai Ree, Andreas H. Göller, Jan H. Jensen
RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions. J. Cheminformatics 13 (1) (2021)
Esben Jannik Bjerrum, Jan H. Jensen, Jakob L. Tolborg
pICalculax: Improved Prediction of Isoelectric Point for Modified Peptides. J. Chem. Inf. Model. 57 (8) (2017)
Ilke Ugur, Antoine Marion, Stéphane Parant, Jan H. Jensen, Gerald Monard
's. J. Chem. Inf. Model. 54 (8) (2014)
Wouter Boomsma, Jes Frellsen, Tim Harder, Sandro Bottaro, Kristoffer E. Johansson, Pengfei Tian, Kasper Stovgaard, Christian Andreetta, Simon Olsson, Jan B. Valentin, Lubomir D. Antonov, Anders S. Christensen, Mikael Borg, Jan H. Jensen, Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg, Thomas Hamelryck
PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure. J. Comput. Chem. 34 (19) (2013)
Casper Steinmann, Mikael W. Ibsen, Anne S. Hansen, Jan H. Jensen
FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations CoRR (2012)
Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon
Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. J. Comput. Chem. 31 (4) (2010)
Donald Ephraim Curtis, Teodor Rus, Jan H. Jensen
Application driven software for chemistry. EIT (2008)
Jan H. Jensen, Thomas Hoeg-Jensen, Søren B. Padkjær
Building a BioChemformatics Database. J. Chem. Inf. Model. 48 (12) (2008)
Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens E. Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Res. 35 (Web-Server-Issue) (2007)
Dmitri G. Fedorov, Kazuo Kitaura, Hui Li, Jan H. Jensen, Mark S. Gordon
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). J. Comput. Chem. 27 (8) (2006)
Hui Li, Jan H. Jensen
Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation. J. Comput. Chem. 25 (12) (2004)
Pablo A. Molina, Hui Li, Jan H. Jensen
Intraprotein electrostatics derived from first principles: Divide-and-conquer approaches for QM/MM calculations. J. Comput. Chem. 24 (16) (2003)
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz, Steven T. Elbert, Mark S. Gordon, Jan H. Jensen, Shiro Koseki, Nikita Matsunaga, Kiet A. Nguyen, Shujun Su, Theresa L. Windus, Michel Dupuis, John A. Montgomery Jr.
General atomic and molecular electronic structure system. J. Comput. Chem. 14 (11) (1993)