Artículos con órdenes de acceso público - Jens Erik NielsenMás información
No disponibles en ningún lugar: 6
Structural Artifacts in Protein− Ligand X-ray Structures: Implications for the Development of Docking Scoring Functions
CR Søndergaard, AE Garrett, T Carstensen, G Pollastri, JE Nielsen
Journal of medicinal chemistry 52 (18), 5673-5684, 2009
Órdenes: Science Foundation Ireland
Improving the analysis of NMR spectra tracking pH‐induced conformational changes: Removing artefacts of the electric field on the NMR chemical shift
P Kukić, D Farrell, CR Søndergaard, U Bjarnadottir, J Bradley, G Pollastri, ...
Proteins: Structure, Function, and Bioinformatics 78 (4), 971-984, 2010
Órdenes: Science Foundation Ireland
Analyzing enzymatic pH activity profiles and protein titration curves using structure-based pK a calculations and titration curve fitting
JE Nielsen
Methods in enzymology 454, 233-258, 2009
Órdenes: Science Foundation Ireland
Integrated prediction of the effect of mutations on multiple protein characteristics
MA Johnston, CR Søndergaard, JE Nielsen
Proteins: Structure, Function, and Bioinformatics 79 (1), 165-178, 2011
Órdenes: Science Foundation Ireland
Coupled effect of salt and pH on proteins probed with NMR spectroscopy
P Kukic, F O’Meara, C Hewage, JE Nielsen
Chemical Physics Letters 579, 114-121, 2013
Órdenes: Science Foundation Ireland
Investigation of Ionization Pattern of the Adjacent Acidic Residues in the DXDXE Motif of GH-18 Chitinases Using Theoretical pKa Calculations
P Meekrathok, P Kukic, JE Nielsen, W Suginta
Journal of Chemical Information and Modeling 57 (3), 572-583, 2017
Órdenes: Science Foundation Ireland
Disponibles en algún lugar: 27
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
Órdenes: German Research Foundation
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
Órdenes: US National Science Foundation, US Department of Energy, US Department of …
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
Órdenes: US National Institutes of Health, Howard Hughes Medical Institute
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
Órdenes: US National Institutes of Health
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
Órdenes: US National Institutes of Health, Science Foundation Ireland
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
Órdenes: Canadian Institutes of Health Research, Science Foundation Ireland
Electrostatics in proteins and protein-ligand complexes
P Kukic, JE Nielsen
Future Medicinal Chemistry 2 (4), 647-666, 2010
Órdenes: Science Foundation Ireland
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
Órdenes: US National Institutes of Health, Canadian Institutes of Health Research …
First implication of STRA6 mutations in isolated anophthalmia, microphthalmia, and coloboma: A new dimension to the STRA6 phenotype
J Casey, R Kawaguchi, M Morrissey, H Sun, P McGettigan, JE Nielsen, ...
Human mutation 32 (12), 1417-1426, 2011
Órdenes: US National Institutes of Health, Howard Hughes Medical Institute, Science …
Heparin enhances serpin inhibition of the cysteine protease cathepsin L
WJ Higgins, DM Fox, PS Kowalski, JE Nielsen, DM Worrall
Journal of Biological Chemistry 285 (6), 3722-3729, 2010
Órdenes: Science Foundation Ireland
Titration_DB: Storage and analysis of NMR‐monitored protein pH titration curves
D Farrell, ES Miranda, H Webb, N Georgi, PB Crowley, LP McIntosh, ...
Proteins: Structure, Function, and Bioinformatics 78 (4), 843-857, 2010
Órdenes: Science Foundation Ireland
Strategies for Modulating the pH-Dependent Activity of a Family 11 Glycoside Hydrolase
ML Ludwiczek, I D’Angelo, GN Yalloway, JA Brockerman, M Okon, ...
Biochemistry 52 (18), 3138-3156, 2013
Órdenes: Canadian Institutes of Health Research
Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations
LP McIntosh, D Naito, SJ Baturin, M Okon, MD Joshi, JE Nielsen
Journal of biomolecular NMR 51, 5-19, 2011
Órdenes: Canadian Institutes of Health Research
Structural dynamics and catalytic properties of a multimodular xanthanase
OV Moroz, PF Jensen, SP McDonald, N McGregor, E Blagova, ...
ACS Catalysis 8 (7), 6021-6034, 2018
Órdenes: Natural Sciences and Engineering Research Council of Canada, Danish Council …
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