Jens Erik Nielsen
Jens Erik Nielsen
Vice President, Enzyme Research, Novozymes A/S
Vahvistettu sähköpostiosoite verkkotunnuksessa - Kotisivu
PDB2PQR: an automated pipeline for the setup of Poisson–Boltzmann electrostatics calculations
TJ Dolinsky, JE Nielsen, JA McCammon, NA Baker
Nucleic acids research 32 (suppl_2), W665-W667, 2004
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
Predicting changes in the stability of proteins and protein complexes: a study of more than 1000 mutations
R Guerois, JE Nielsen, L Serrano
Journal of molecular biology 320 (2), 369-387, 2002
Improvements to the APBS biomolecular solvation software suite
E Jurrus, D Engel, K Star, K Monson, J Brandi, LE Felberg, DH Brookes, ...
Protein Science 27 (1), 112-128, 2018
Prolyl hydroxylase-1 negatively regulates IκB kinase-β, giving insight into hypoxia-induced NFκB activity
EP Cummins, E Berra, KM Comerford, A Ginouves, KT Fitzgerald, ...
Proceedings of the National Academy of Sciences 103 (48), 18154-18159, 2006
Protein engineering of bacterial α-amylases
JE Nielsen, TV Borchert
Biochimica et Biophysica Acta (BBA)-Protein Structure and Molecular …, 2000
Fast empirical pKa prediction by Ewald summation
E Krieger, JE Nielsen, CAEM Spronk, G Vriend
Journal of Molecular Graphics and Modelling 25 (4), 481-486, 2006
Web servers and services for electrostatics calculations with APBS and PDB2PQR
S Unni, Y Huang, RM Hanson, M Tobias, S Krishnan, WW Li, JE Nielsen, ...
Journal of computational chemistry 32 (7), 1488-1491, 2011
Progress in the prediction of pKa values in proteins
E Alexov, EL Mehler, N Baker, A M. Baptista, Y Huang, F Milletti, ...
Proteins: structure, function, and bioinformatics 79 (12), 3260-3275, 2011
Optimizing the hydrogen‐bond network in Poisson–Boltzmann equation‐based pKa calculations
JE Nielsen, G Vriend
Proteins: Structure, Function, and Bioinformatics 43 (4), 403-412, 2001
Mutational and computational analysis of the role of conserved residues in the active site of a family 18 chitinase
B Synstad, S Gåseidnes, DMF Van Aalten, G Vriend, JE Nielsen, ...
European journal of biochemistry 271 (2), 253-262, 2004
Calculating pKa values in enzyme active sites
JE Nielsen, JA McCammon
Protein science 12 (9), 1894-1901, 2003
Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase
MD Joshi, G Sidhu, JE Nielsen, GD Brayer, SG Withers, LP McIntosh
Biochemistry 40 (34), 10115-10139, 2001
On the evaluation and optimization of protein X‐ray structures for pKa calculations
JE Nielsen, JA McCammon
Protein science 12 (2), 313-326, 2003
Improving macromolecular electrostatics calculations
JE Nielsen, KV Andersen, B Honig, RWW Hooft, G Klebe, G Vriend, ...
Protein engineering 12 (8), 657-662, 1999
The determinants of α-amylase pH–activity profiles
JE Nielsen, TV Borchert, G Vriend
Protein Engineering, Design and Selection 14 (7), 505-512, 2001
The pKa Cooperative: A collaborative effort to advance structure‐based calculations of pKa values and electrostatic effects in proteins
JE Nielsen, MR Gunner, B García‐Moreno E
Proteins: Structure, Function, and Bioinformatics 79 (12), 3249-3259, 2011
Remeasuring HEWL pKa values by NMR spectroscopy: Methods, analysis, accuracy, and implications for theoretical pKa calculations
H Webb, BM Tynan‐Connolly, GM Lee, D Farrell, F O'Meara, ...
Proteins: Structure, Function, and Bioinformatics 79 (3), 685-702, 2011
Electrostatics in proteins and protein-ligand complexes
P Kukic, JE Nielsen
Future Medicinal Chemistry 2 (4), 647-666, 2010
Protein dielectric constants determined from NMR chemical shift perturbations
P Kukic, D Farrell, LP McIntosh, B García-Moreno E, KS Jensen, Z Toleikis, ...
Journal of the American Chemical Society 135 (45), 16968-16976, 2013
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