Publications
Main content
Peer-reviewed journals听(including review articles, marked with听鈥⑩赌�)
2016
56.听Improving the Force Field Description of Tyrosine鈥揅holine Cation鈭捪� Interactions: QM Investigation of Phenol鈥揘(Me)4+听Interactions. H.M.Khan,听C.Grauffel, R.Broer, A.D. MacKerell, R.W.A. Havenith,听N.Reuter*.听J Chem Theory听Comput. 2016 (in press)听doi:听
55. A role for weak electrostatic interactions in peripheral membrane protein binding. H.M.Khan, T.He, E.Fuglebakk, C.Grauffel, B.Yang, M.F.Roberts, A.Gershenson, N.Reuter*.听听Biophys J. 2016. 110(6): 1367-78. doi:听
54. Similarity in shape dictates signature intrinsic dynamics despite no functional conservation in TIM Barrel enzymes. S.P.Tiwari, N.Reuter*. PLoS Comp Biol. 2016. 12(3):e1004834听doi:
53. Proteinase 3 is a phosphatidylserine binding protein which affects the production and function of microvesicles. K.R. Martin, C. Kantari-Mimoun, M.Yin, M.Pederzoli-Ribeil, F.Angelot-Delettre, A.Ceroi, C.Grauffel, M.Benhamou, N.Reuter, P.Saas, P.Frachet, C.M.Boulanger, V.Witko-Sarsat*. J Biol Chem. 2016.听291(20):10476-89 doi:听
听
2015
52. Membrane docking of the synaptotagmin 7 C2A domain: computation reveals interplay between electrostatic and hydrophobic contributions. N.L.Chon, J.R.Osterberg, J.Henderson, H.M.Khan, N.Reuter, J.D.Knight*, H.Lin*.听Biochemistry. 2015 54(37): 5696-711 doi: 听 听 听
51. Biochemical and cellular analysis of Ogden syndrome reveals downstream N-acetylation defects. L.M.Myklebust, P.Van Damme*, S.I. St酶ve, M.J. D枚rfel, A.Abboud, T.V.Kalvik, C. Grauffel, V.Jonckheere, Y.Wu, J.Swensen, H.Kaasa, G.Liszczak, R.Marmorstein, N.Reuter, G.J.Lyon*, K.Gevaert, T.Arnesen*.听Human Molecular Genetics听2015听24(7):1956-1976听
50.听听听听听 鈥⑩赌⑻鼵omparing the Intrinsic Dynamics of Multiple Protein Structures Using Elastic Network Models E. Fuglebakk, S.P. Tiwari, N. Reuter*.听Biochim Biophys Acta - General Subjects听(2015) 1850(5): 911-922听听
49.听听听听听听 Quantifying Transient Interactions between Bacillus Phosphatidylinositol-Specific Phospholipase-C and Phosphatidylcholine-Rich Vesicles. B.Yang, M.Pu, H.F.Khan, L.Friedman, N.Reuter, M.F.Roberts, A.Gershenson*.听J Am Chem Soc (2015) 137(1):14-17 听
听
2014
48.听听听听听听 WEBnm@ v2.0: Web server and services for comparing protein flexibility.听 S.P. Tiwari, E.Fuglebakk*, S.M.Hollup, L.Skjaerven, T.Cragnolini, S.H.Grindhaug, K.M.Tekle, N.Reuter*.听BMC Bioinformatics听(2014) 15: 6597听
47.听听听听听听听Evolution of oligomeric state through allosteric pathways that mimic ligand binding. T.Perica,Y.Kondo,S.P.Tiwari, S.H.McLaughlin, K.R.Kemplen, X.Zhang, A.Steward, N.Reuter, J.Clarke, S.A.Teichmann*.听Science. (2014), 346(6216)听
46.听听听听听听听听Reversible Ketomethylene-Based Inhibitors of Human Neutrophil Proteinase 3听A.Budnjo, S.Narawane, C.Grauffel, A.S. Schillinger, T. Fossen, N.Reuter*, B.E.Haug*.听Journal of Medicinal Chemistry听(2014)听57(22):9396鈥�9408听
45.听听听听听 Two homologous neutrophil serine proteases bind to POPC vesicles with different affinities: When aromatic amino acids matter. A.S. Schillinger, C. Grauffel, H.M. Khan, O. Halskau, N. Reuter*.听Biochim Biophys Acta - Biomembranes听(2014)听1838(12): 3191-3202听
44. 听 听听 Characterization of Immunological Cross-Reactivity between Enterotoxigenic Escherichia coli Heat-Stable Toxin and Human Guanylin and Uroguanylin. A.M.Taxt, Y.Diaz, A.Bacle, C.Grauffel, N.Reuter, R.Aasland, H.Sommerfelt, P.Puntervoll*.听Infection and Immunity听(2014)听82(7):2913-2922听
43.听听听听听 In silico design, synthesis and assays of specific substrates for Proteinase 3: influence of fluorogenic and charged groups. S.Narawane, A.Budnjo, C.Grauffel, B.E.Haug*, N.Reuter*.听Journal of Medicinal Chemistry听(2014)听57(3):1111-1115听
听
2013
42.听听听听听听Evaluation of protein elastic network models based on an analysis of collective motions. E.Fuglebakk*, N.Reuter, K.Hinsen*.听Journal of Chemical Theory and Computation听(2013)听9(12): 5618鈥�5628听
41. 听 听听 Visual cavity analysis in molecular simulations.听J.Parulek*,听C.Turkay,听N.Reuter听and听I.Viola.听BMC Bioinformatics听(2013)听14(Suppl 19):S4听
40.听听听听听 Cation-pi interactions as lipid-specific anchors for phosphatidylinositol-specific phospholipase-C. C.Grauffel, B.Yang, T.He, M.F. Roberts, A.Gershenson,听N.Reuter*,听听Journal of the American Chemical Society听(2013) 135(15):5740-50听听
39.听听听听听 Does changing the predicted dynamics of a phospholipase C alter activity and membrane binding? J.Cheng, S. Karri, C.Grauffel, F.Wang,听N.Reuter, M.F. Roberts, P.L.Wintrode, A.Gershenson*,听Biophysical Journal听(2013) 104: 1-11听
38.听听听听听 Comparing aminoglycoside binding sites in bacterial ribosomal RNA and aminoglycoside modifying enzymes. J.Romanowska,听N.Reuter听and J.Trylska*,听Proteins: Structure, Function and Bioinformatics(2013)听81(1): 63-80.听
听
2012
37.听听听听听 Specificity and versatility of substrate binding sites in four catalytic domains of human N-terminal acetyltransferases. C.Grauffel, A.Abboud, G.Liszczak, R.Marmorstein, T.Arnesen,听N.Reuter*,听PLoS ONE(2012)听7(12):听e52642听
36.听听听听听听Nuclear-to-cytoplasmic relocalization of the proliferating cell nuclear antigen (PCNA) during differentiation involves a chromosome region maintenance 1 (CRM1)-dependent export and is a prerequisite for PCNA anti-apoptotic activity in mature neutrophils.听D. Bouayad,听M. Pederzoli-Ribeil,听J.Mocek,听C.Candalh,J.-B. Arlet,听O.Hermine,听N.Reuter,听N.Davezac,听and听V.Witko-Sarsat*,听Journal of Biological Chemistry (2012), 287, 33812-33825听
35.听听听听听 Measuring and comparing structural fluctuation patterns in large protein datasets. E.Fuglebakk, J.Echave,听N.Reuter*.听Bioinformatics (2012)听28(19):2431-40听
34.听听听听听 A dynamic model of long-range conformational adaptations triggered by nucleotide binding in groel-groes.听L.Skjaerven*, A.Muga,听N.Reuter, A.Martinez.听听Proteins: Structure, Function and Bioinformatics (2012)听80(10):2333-46听
听
2011
33.听听听听听听Dynamics, flexibility and ligand-induced conformational changes in biological macromolecules: a computational approach. L.Skjaerven*,听N.听Reuter, A.听Martinez.听Future Medicinal Chemistry (2011)听3(16), 2079-2100
32.听听听听听 Molecular analysis of the membrane insertion domain of proteinase 3, the Wegener's autoantigen, in RBL cells: implication for its pathogenic activity. C.Kantari, A.Millet A, J.Gabillet, E.Hajjar, T.Broemstrup, P.Pluta,听N.Reuter, V.Witko-Sarsat*.听Journal of Leukocyte Biology听(2011)听90(5), 941-50
31.听听听听听 Conformational sampling and nucleotide-dependent transitions of the GroEL subunit probed by molecular dynamics simulations. L.Skjaerven, B.Grant, K.Teigen, A.McCammon,听N.Reuter, A. Martinez*.听PLoS Computational Biology听(2011)听7(3):e1002004
30.听听听听听 Exploring the factors determining the dynamics of different protein folds. S.M.Hollup, E.Fuglebakk, W.R.Taylor,听N.Reuter*.听Protein Science听(2011)听20(1), 197-209
29.听听听听听 Principal component and normal mode analysis of proteins; a quantitative comparison using the GroEL subunit. L.Skjaerven, A.Martinez,听N.Reuter*.听Proteins: Structure, Function and Bioinformatics听(2011),听79(1), 232-43
听
2010
28.听听听 Proliferating cell nuclear antigen acts as a cytoplasmic platform controlling human neutrophil survival. V.Witko-Sarsat, J.Mocek, D.Bouayad, N.Tamassia, J.A.Ribeil, C.Candalh, N.Davezac,听N.Reuter, L.Mouthon, O.Hermine, M.Pederzoli-Ribeil, M.Cassatella.听Journal of Experimental Medicine听(2010),听207(12), 2631-45
27.听听听听听 How does proteinase 3 interact with lipid bilayers? T.Broemstrup,听N.Reuter,听Physical Chemistry Chemical Physics听(2010), 12, 7487-96.
26.听听听听听 Molecular dynamics simulations of mixed acidic/zwitterionic phospholipid bilayers. T.Broemstrup,听N.Reuter,听Biophysical Journal听(2010),听99(3), 825-33
25.听听听听听 鈥⑩赌� Structures of human proteinase 3 and neutrophil elastase--so similar yet so different. E.Hajjar, T.Broemstrup, C.Kantari, V.Witko-Sarsat,听N.Reuter,听Febs Journal听(2010), 277, 2238-54.
24.听听听听听 鈥⑩赌� Interaction of proteinase 3 with its associated partners: implications in the pathogenesis of Wegener's granulomatosis V.Witko-Sarsat,听N.Reuter, L.Mouthon,听Current Opinion in Rheumathology听(2010), 22(1),1-7.
听
2009
23.听听听听听 Challenges in pKa predictions for proteins: the case of Asp213 in human proteinase 3. E.Hajjar, A.Dejaegere,听N.Reuter.听J Phys Chem A听(2009),听113, 11783-92
22.听鈥⑩赌�听Normal mode analysis for proteins. L.Skjaerven, S.M.Hollup,听N.Reuter.听Theochem: Journal of Molecular Structure听(2009), 898(1-3), 42-48
听
1999-2008
21.听听听听听 Computational prediction of the binding of Proteinase3 to lipid bilayers. E.Hajjar, M.Mihajlovic, V.Witko-Sarsat, T.Lazaridis, and听N.Reuter.听Proteins: Structure, Function and Bioinformatics听(2008),听71(4): 1655-69.
20.听听听听听 Differences in the substrate binding sites of murine and human proteinase 3 and neutrophil elastase. E.Hajjar, B.Korkmaz and听N.Reuter.听FEBS Letters听(2007), 581(29): 5685-5690
19.听听听听听 Two-Level Approach to Efficient Visualization of Protein Dynamics. O.Daae Lampe, I.Viola,听N.Reuterand H.Hauser.听IEEE Transactions on Visualization and Computer Graphics听(2007),听13(6): 1616-23
18.听听听听听 tmm@: a web application for the analysis of transmembrane helix mobility. L.Skj忙rven, I.Jonassen and听N.Reuter.听BMC Bioinformatics听(2007), 8:232
17.听听听听听 Influence of charge distribution at the active site surface on the substrate specificity of human neutrophil protease 3 and elastase: a kinetic and molecular modelling analysis. B.Korkmaz, E.Hajjar, T.Kalupov,听N.Reuter, M.Brillard-Bourdet, T.Moreau, L.Juliano and F.Gauthier.听Journal of Biological Chemistry听(2006),听282(3), 1989-1997
16.听A novel locust (Schistocerca gregaria) serine protease inhibitor with a high affinity for neutrophil elastase. M.Brillard-Bourdet, A.Hamdaoui, E.Hajjar, C.Boudier,听N.Reuter, L.Ehret-Sabatier, J.G.Bieth, F.Gauthier.听Biochemical Journal听(2006), 400(3), 467-7
15.听听听听听 Evaluation of models for the evolution of protein sequences and functions under structural constraint. S.Rastogi,听N.Reuter听and D.Liberles.听Biophysical Chemistry听(2006),124(2), p.134-44
14.听Inspection of the binding sites of proteinase3 for the design of a highly specific substrate. E.Hajjar, B.Korkmaz, B.O.Brandsdal, V.Witko-Sarsat and听N.Reuter.听Journal of Medicinal Chemistry听(2006),听49(4), p.1248-60
13.听听听听听 Molecular analysis of P21/Waf1/CIP1 cleavage by proteinase3: physiological implication in monocytic differentiation. B.Dublet, A.Ruello, M.Pederzoli, E.Hajjar, M.Courbebaisse, S.Canteloup,听N.Reuter, and V.Witko-Sarsat.听Journal of Biological Chemistry听(2005), 280(34), p.30242-30253
12.听听听听听 WEBnm@: a web application for normal mode analysis of proteins. S.M.Hollup, G.S忙lensminde and听N.Reuter.听BMC Bioinformatics听(2005), 6(1): 52
11.听听听听听 Normal mode based fitting of atomic structure into electron density maps: application to SR Ca-ATPase. K.Hinsen,听N.Reuter, J.Navaza, D.L.Stokes and J.-J.Lacap猫re.听Biophysical Journal听(2005), vol 88, p. 818-827
10.听Transconformations of the SERCA1 Ca-ATPase: A Normal Mode Study.听N.Reuter, K.Hinsen, J.-J.Lacap猫re.听Biophysical Journal听(2003), vol 85, p. 2186-2197
9.听鈥⑩赌� Orexins and their receptors: role in peripheral tissues. T.Voisin, P.Rouet-Benzineb,听N.Reuter, M.Laburthe.听Cellular and Molecular Life Sciences听(2003), vol 60, n掳 1, p. 72-87. Review
8.听The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations. J.Sch枚neboom, H.Lin,听N.Reuter, W.Thiel, S. Cohen, F.Ogliaro, S.Shaik.听Journal of the American Chemical Society听(2002), vol. 124, n掳 27, p.8142-8151
7.听听听听听 Green Fluorescent Proteins : Empirical force field for the neutral and deprotonated forms of the chromophore. Molecular dynamic simulations of the wild-type and S65T mutant.听N.Reuter, H.Lin and W.Thiel.听Journal of Physical Chemistry B听(2001), vol. 106, n掳24, p. 6310-6321
6.听听听听听 The vibrational overtones of SiH4听isotopomers: experimental wavenumbers, assignment, ab initio dipole moment surfaces and intensities. H.Lin, S.-G.He, X.-G.Wang, L.-F.Yuan, H.Burger, J.-F.D鈥橢u,听N.Reuter, W.Thiel.听Physical Chemistry Chemical Physics听(2001), vol. 3, n掳 17, p. 3506-3517
5.听听听听听 The search for a new model structure of b-factor XIIa. E.S.Henriques, A.Melo, J.A.N.F.Gomes, M. J.Ramos, W.B.Floriano, M.A.C.Nascimento,听N.Reuter听and B.Maigret.听Journal of Computer Aided Molecular Design听(2001),听vol. 15, n掳 4, p. 309-322
4.听听听听听 Calibration of the quantum/classical hamiltonian in semi-empirical QM/MM AM1 and PM3 methods. F.J.Luque,听N.Reuter, A.Cartier, and M.F.Ruiz-L贸pez.听Journal of Physical Chemistry A听(2000), vol. 104, n掳 46, p. 10923-10931
3.听听听听听 Frontier bonds in QM/MM methods: A comparison of different approaches.听N.Reuter, A.Dejaegere, B.Maigret, M.Karplus.听Journal of Physical Chemistry A听(2000)听,听vol. 104, n掳 8, p.1720-1735
2.听听听听听 Theoretical study of arginine-carboxylate interactions. A.Melo, M.J.Ramos, W.B.Floriano, J.A.N.F.Gomes, J.F.R.Leao, A.L.Magalhaes, B.Maigret, M.C.Nascimento,听N.Reuter.听Journal of Molecular Structure (Theochem) (1999), vol. 463, n掳 1-2, p. 81-90
1.听听听听听 Modelling enzyme-inhibitor interactions.M.J.Ramos, A.Melo, E.S.Henriques, J.A.N.F.Gomes,听N.Reuter, B.Maigret, W.B.FIoriano, M.A.C.Nascimento.听International Journal of Quantum Chemistry (1999),听vol. 74, n掳 3, p. 299鈥�314
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听听Book section听鈥� Slow dynamics of biomolecules: the normal mode analysis approach.听N. Reuter听In: Recent Adv in Prot Eng. Trivandrum, India. De Brevern A, editor. Research signpost (2008)听
听Popular Science听鈥� Bioinformatikk platformen. I Jonassen,听N. Reuter, E. Hovig, F. Drabl酶s.听NBS Nytt听(Norwegian biochem. Soc. newsletter),听2005听鈥� Lokalanestetika og bioinformatikk. H. Lygre,听N. Reuter听og I. R酶dland.听Den Norske Tannlegeforenings Tidende听(Journal of the Norwegian Dentistry Society),听2007, 117: 672-5听鈥� Molecular Dynamics Simulations of proteins.听N. Reuter.听Meta,听2007, 117: 672-5听听听