Nathalie Reuter
Nathalie Reuter
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TítuloCitado porAño
Frontier bonds in QM/MM methods: a comparison of different approaches
N Reuter, A Dejaegere, B Maigret, M Karplus
The Journal of Physical Chemistry A 104 (8), 1720-1735, 2000
4292000
The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations
JC Schöneboom, H Lin, N Reuter, W Thiel, S Cohen, F Ogliaro, S Shaik
Journal of the American Chemical Society 124 (27), 8142-8151, 2002
2842002
Proliferating cell nuclear antigen acts as a cytoplasmic platform controlling human neutrophil survival
V Witko-Sarsat, J Mocek, D Bouayad, N Tamassia, JA Ribeil, C Candalh, ...
Journal of Experimental Medicine 207 (12), 2631-2645, 2010
1312010
WEBnm@: a web application for normal mode analyses of proteins
SM Hollup, G Salensminde, N Reuter
BMC bioinformatics 6 (1), 52, 2005
1312005
Green fluorescent proteins: Empirical force field for the neutral and deprotonated forms of the chromophore. Molecular dynamics simulations of the wild type and S65T mutant
N Reuter, H Lin, W Thiel
The Journal of Physical Chemistry B 106 (24), 6310-6321, 2002
1072002
Normal mode analysis for proteins
L Skjaerven, SM Hollup, N Reuter
Journal of Molecular Structure: THEOCHEM 898 (1-3), 42-48, 2009
1022009
Principal component and normal mode analysis of proteins; a quantitative comparison using the GroEL subunit
L Skjaerven, A Martinez, N Reuter
Proteins: Structure, Function, and Bioinformatics 79 (1), 232-243, 2011
982011
Normal mode-based fitting of atomic structure into electron density maps: application to sarcoplasmic reticulum Ca-ATPase
K Hinsen, N Reuter, J Navaza, DL Stokes, JJ Lacapère
Biophysical journal 88 (2), 818-827, 2005
892005
Measuring and comparing structural fluctuation patterns in large protein datasets
E Fuglebakk, J Echave, N Reuter
Bioinformatics 28 (19), 2431-2440, 2012
702012
Transconformations of the SERCA1 Ca-ATPase: a normal mode study
N Reuter, K Hinsen, JJ Lacapère
Biophysical journal 85 (4), 2186-2197, 2003
662003
Two-level approach to efficient visualization of protein dynamics
OD Lampe, I Viola, N Reuter, H Hauser
IEEE Transactions on Visualization & Computer Graphics, 1616-1623, 2007
632007
Structures of human proteinase 3 and neutrophil elastase–so similar yet so different
E Hajjar, T Broemstrup, C Kantari, V Witko‐Sarsat, N Reuter
The FEBS journal 277 (10), 2238-2254, 2010
612010
Calibration of the quantum/classical Hamiltonian in semiempirical QM/MM AM1 and PM3 methods
FJ Luque, N Reuter, A Cartier, MF Ruiz-López
The Journal of Physical Chemistry A 104 (46), 10923-10931, 2000
542000
Biochemical and cellular analysis of Ogden syndrome reveals downstream Nt-acetylation defects
LM Myklebust, P Van Damme, SI Støve, MJ Dörfel, A Abboud, TV Kalvik, ...
Human molecular genetics 24 (7), 1956-1976, 2014
532014
Evaluation of protein elastic network models based on an analysis of collective motions
E Fuglebakk, N Reuter, K Hinsen
Journal of Chemical Theory and Computation 9 (12), 5618-5628, 2013
532013
Comparing the intrinsic dynamics of multiple protein structures using elastic network models
E Fuglebakk, SP Tiwari, N Reuter
Biochimica et Biophysica Acta (BBA)-General Subjects 1850 (5), 911-922, 2015
522015
Influence of Charge Distribution at the Active Site Surface on the Substrate Specificity of Human Neutrophil Protease 3 and Elastase A KINETIC AND MOLECULAR MODELING ANALYSIS
B Korkmaz, E Hajjar, T Kalupov, N Reuter, M Brillard-Bourdet, T Moreau, ...
Journal of Biological Chemistry 282 (3), 1989-1997, 2007
502007
Evolution of oligomeric state through allosteric pathways that mimic ligand binding
T Perica, Y Kondo, SP Tiwari, SH McLaughlin, KR Kemplen, X Zhang, ...
Science 346 (6216), 1254346, 2014
492014
Interaction of proteinase 3 with its associated partners: implications in the pathogenesis of Wegener's granulomatosis
V Witko-Sarsat, N Reuter, L Mouthon
Current opinion in rheumatology 22 (1), 1-7, 2010
422010
Theoretical study of arginine–carboxylate interactions
A Melo, MJ Ramos, WB Floriano, J Gomes, JFR Leao, AL Magalhaes, ...
Journal of Molecular Structure: THEOCHEM 463 (1-2), 81-90, 1999
421999
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