Jan H. Jensen

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Hui LiDepartment of Chemistry, University of Nebraska-Lincolnunlserve.unl.edu üzerinde doğrulanmış e-posta adresine sahip
Kim Baldridgetju.edu.cn üzerinde doğrulanmış e-posta adresine sahip
Nikita MatsunagaProfessor of Chemistry, Long Island Universityliu.edu üzerinde doğrulanmış e-posta adresine sahip
John MontgomeryUniversity of Connecticutphys.uconn.edu üzerinde doğrulanmış e-posta adresine sahip
Stephen T ElbertPacific Northwest National Laboratorypnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Casper SteinmannDepartment of Chemistry and Bioscience, Aalborg Universitybio.aau.dk üzerinde doğrulanmış e-posta adresine sahip
Anders S. ChristensenQuantum Consulting by Christensenunibas.ch üzerinde doğrulanmış e-posta adresine sahip
Luca De VicoSiena Universityunisi.it üzerinde doğrulanmış e-posta adresine sahip
Visvaldas KairysVilnius Universitybti.vu.lt üzerinde doğrulanmış e-posta adresine sahip
Jimmy Charnley Kromanncharnley.dk üzerinde doğrulanmış e-posta adresine sahip
David M. RogersUniversity of Nottinghamnottingham.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Nathan BakerPacific Northwest National Laboratory, University of Washingtonpnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Jens Erik NielsenVice President, Enzyme Research, Novozymes A/Snovozymes.com üzerinde doğrulanmış e-posta adresine sahip
Paul CzodrowskiProfessor for Computational Chemical Biologytu-dortmund.de üzerinde doğrulanmış e-posta adresine sahip
Gerhard KlebeProfessor für Pharmazeutische Chemie, Philipps-Universitätmailer.uni-marburg.de üzerinde doğrulanmış e-posta adresine sahip
Jonas BaltrusaitisLehigh Universitylehigh.edu üzerinde doğrulanmış e-posta adresine sahip
Vicki H. GrassianDistinguished Professor & Distinguished Chair of Physical Chemistry, UC San Diegoucsd.edu üzerinde doğrulanmış e-posta adresine sahip
Pradipta BandyopadhyayProfessor, Jawaharlal Nehru Universitymail.jnu.ac.in üzerinde doğrulanmış e-posta adresine sahip
Thomas HamelryckBioinformatics center, University of Copenhagenbinf.ku.dk üzerinde doğrulanmış e-posta adresine sahip
Mads BrandbygeProfessor at DTU-Physics, Tech. Univ. of Denmarkdtu.dk üzerinde doğrulanmış e-posta adresine sahip

Jan H. Jensen

University of Copenhagen

chem.ku.dk üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Computational Chemistry Theoretical Chemistry Chemistry


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
General atomic and molecular electronic structure system MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... Journal of Computational Chemistry 14 (11), 1347-1363, 1993	20789	1993
PROPKA3: consistent treatment of internal and surface residues in empirical p K a predictions MHM Olsson, CR Søndergaard, M Rostkowski, JH Jensen Journal of Chemical Theory and Computation 7 (2), 525-537, 2011	1971	2011
Very fast empirical prediction and rationalization of protein pKa values H Li, AD Robertson, JH Jensen Proteins: Structure, Function, and Bioinformatics 61 (4), 704-721, 2005	1890	2005
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations TJ Dolinsky, P Czodrowski, H Li, JE Nielsen, JH Jensen, G Klebe, ... Nucleic acids research 35 (suppl 2), W522-W525, 2007	1513	2007
Very fast prediction and rationalization of pKa values for protein–ligand complexes DC Bas, DM Rogers, JH Jensen Proteins: Structure, Function, and Bioinformatics 73 (3), 765-783, 2008	933	2008
Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of p K a Values CR Søndergaard, MHM Olsson, M Rostkowski, JH Jensen Journal of Chemical Theory and Computation 7 (7), 2284-2295, 2011	931	2011
The effective fragment potential method: a QM-based MM approach to modeling environmental effects in chemistry MS Gordon, MA Freitag, P Bandyopadhyay, JH Jensen, V Kairys, ... The Journal of Physical Chemistry A 105 (2), 293-307, 2001	652	2001
An effective fragment method for modeling solvent effects in quantum mechanical calculations PN Day, JH Jensen, MS Gordon, SP Webb, WJ Stevens, M Krauss, ... The Journal of chemical physics 105 (5), 1968-1986, 1996	649	1996
On the number of water molecules necessary to stabilize the glycine zwitterion JH Jensen, MS Gordon Journal of the American Chemical Society 117 (31), 8159, 1995	461	1995
The conformational potential energy surface of glycine: A theoretical study JH Jensen, MS Gordon Journal of the American Chemical Society 113 (21), 1991	273	1991
Graphical analysis of pH-dependent properties of proteins predicted using PROPKA M Rostkowski, MHM Olsson, CR Søndergaard, JH Jensen BMC structural biology 11 (1), 6, 2011	267	2011
Understanding the hydrogen bond using quantum chemistry MS Gordon, JH Jensen Accounts of Chemical Research 29 (11), 536, 1996	222	1996
The effective fragment potential: A general method for predicting intermolecular interactions MS Gordon, L Slipchenko, H Li, JH Jensen Annual Reports in Computational Chemistry 3, 177-193, 2007	211	2007
Evaluation of charge penetration between distributed multipolar expansions MA Freitag, MS Gordon, JH Jensen, WJ Stevens The Journal of Chemical Physics 112 (17), 7300-7306, 2000	172	2000
QM/MM boundaries across covalent bonds: a frozen localized molecular orbital-based approach for the effective fragment potential method V Kairys, JH Jensen The Journal of Physical Chemistry A 104 (28), 6656-6665, 2000	162	2000
Determinants of the relative reduction potentials of type-1 copper sites in proteins H Li, SP Webb, J Ivanic, JH Jensen Journal of the American Chemical Society 126 (25), 8010-8019, 2004	152	2004
FTIR spectroscopy combined with isotope labeling and quantum chemical calculations to investigate adsorbed bicarbonate formation following reaction of carbon dioxide with … J Baltrusaitis, JH Jensen, VH Grassian The Journal of Physical Chemistry B 110 (24), 12005-12016, 2006	149	2006
Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation H Li, JH Jensen Journal of computational chemistry 25 (12), 1449-1462, 2004	143	2004
Prediction and rationalization of protein p K a values using QM and QM/MM methods JH Jensen, H Li, AD Robertson, PA Molina The Journal of Physical Chemistry A 109 (30), 6634-6643, 2005	142	2005
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO) DG Fedorov, K Kitaura, H Li, JH Jensen, MS Gordon Journal of computational chemistry 27 (8), 976-985, 2006	139	2006

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