Jan H. Jensen - RankMe

16 papers Journal 15Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	SMILES all around: structure to SMILES conversion for transition metal complexes. J. Cheminformatics Maria H. Rasmussen, Magnus Strandgaard, Julius Seumer, Laura K. Hemmingsen, Angelo Frei, David Balcells, Jan H. Jensen
2024	J	`jnl`	CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein. J. Chem. Inf. Model. Fengling Li, Suzanne Ackloo, Cheryl H. Arrowsmith, Fuqiang Ban, Christopher J. Barden, Hartmut Beck, Jan Beránek, Francois Berenger, Albina Bolotokova, Guillaume Bret, Marko Breznik, Emanuele Carosati, Irene Chau, Yu Chen, Artem Cherkasov, Dennis Della Corte, Katrin Denzinger, Aiping Dong, Sorin Draga, Ian Dunn, Kristina Edfeldt, Aled M. Edwards, Merveille K. I. Eguida, Paul Eisenhuth, Lukas Friedrich, Alexander Fuerll, Spencer S. Gardiner, Francesco Gentile, Pegah Ghiabi, Elisa Gibson, Marta Glavatskikh, Christoph Gorgulla, Judith Guenther, Anders Gunnarsson, Filipp Gusev, Evgeny Gutkin, Levon Halabelian, Rachel J. Harding, Alexander Hillisch, Laurent Hoffer, Anders Hogner, Scott Houliston, John J. Irwin, Olexandr Isayev, Aleksandra Ivanova, Célien Jacquemard, Austin J. Jarrett, Jan H. Jensen, Dmitri Kireev, Julian Kleber, S. Benjamin Koby, David Koes, Ashutosh Kumar, Maria G. Kurnikova, Alina Kutlushina, Uta F. Lessel, Fabian Liessmann, Sijie Liu, Wei Lu, Jens Meiler, Akhila Mettu, Guzel Minibaeva, Rocco Moretti, Connor J. Morris, Chamali Narangoda, Theresa Noonan, Leon Obendorf, Szymon Pach, Amit Pandit, Sumera Perveen, Gennady Poda, Pavel G. Polishchuk, Kristina Puls, Vera Pütter, Didier Rognan, Dylan Roskams-Edris, Christina E. M. Schindler, François Sindt, Vojtech Spiwok, Casper Steinmann, Rick L. Stevens, Valerij Talagayev, Damon Tingey, Oanh Vu, W. Patrick Walters, Xiaowen Wang, Zhenyu Wang, Gerhard Wolber, Clemens Alexander Wolf, Lars Wortmann, Hong Zeng, Carlos A. Zepeda, Kam Y. J. Zhang, Jixian Zhang, Shuangjia Zheng, Matthieu Schapira
2023	J	`jnl`	Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets. J. Cheminformatics Maria H. Rasmussen, Chenru Duan, Heather J. Kulik, Jan H. Jensen
2021	J	`jnl`	RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions. J. Cheminformatics Nicolai Ree, Andreas H. Göller, Jan H. Jensen
2017	J	`jnl`	pICalculax: Improved Prediction of Isoelectric Point for Modified Peptides. J. Chem. Inf. Model. Esben Jannik Bjerrum, Jan H. Jensen, Jakob L. Tolborg
2014	J	`jnl`	Rationalization of the p J. Chem. Inf. Model. Ilke Ugur, Antoine Marion, Stéphane Parant, Jan H. Jensen, Gerald Monard
2013	J	`jnl`	PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure. J. Comput. Chem. 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
2012	J	`jnl`	FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations CoRR Casper Steinmann, Mikael W. Ibsen, Anne S. Hansen, Jan H. Jensen
2010	J	`jnl`	Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. J. Comput. Chem. Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon
2008	—	`conf`	Application driven software for chemistry. EIT Donald Ephraim Curtis, Teodor Rus, Jan H. Jensen
2008	J	`jnl`	Building a BioChemformatics Database. J. Chem. Inf. Model. Jan H. Jensen, Thomas Hoeg-Jensen, Søren B. Padkjær
2007	J	`jnl`	PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Res. Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens Erik Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker
2006	J	`jnl`	The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). J. Comput. Chem. Dmitri G. Fedorov, Kazuo Kitaura, Hui Li, Jan H. Jensen, Mark S. Gordon
2004	J	`jnl`	Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation. J. Comput. Chem. Hui Li, Jan H. Jensen
2003	J	`jnl`	Intraprotein electrostatics derived from first principles: Divide-and-conquer approaches for QM/MM calculations. J. Comput. Chem. Pablo A. Molina, Hui Li, Jan H. Jensen
1993	J	`jnl`	General atomic and molecular electronic structure system. J. Comput. Chem. 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.