| Martini 3: a general purpose force field for coarse-grained molecular dynamics PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ... Nature methods 18 (4), 382-388, 2021 | 1391 | 2021 |
| 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 | 535 | 2000 |
| 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 | 342 | 2002 |
| 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 | 216 | 2010 |
| Measuring and comparing structural fluctuation patterns in large protein datasets E Fuglebakk, J Echave, N Reuter Bioinformatics 28 (19), 2431-2440, 2012 | 170 | 2012 |
| Normal mode analysis for proteins L Skjaerven, SM Hollup, N Reuter Journal of Molecular Structure: THEOCHEM 898 (1-3), 42-48, 2009 | 167 | 2009 |
| WEBnm@: a web application for normal mode analyses of proteins SM Hollup, G Salensminde, N Reuter BMC bioinformatics 6 (1), 52, 2005 | 156 | 2005 |
| 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 | 145 | 2011 |
| 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, 2015 | 135 | 2015 |
| WEBnm@ v2. 0: Web server and services for comparing protein flexibility SP Tiwari, E Fuglebakk, SM Hollup, L Skjærven, T Cragnolini, ... BMC bioinformatics 15 (1), 427, 2014 | 135 | 2014 |
| 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 | 132 | 2002 |
| Cation-π interactions between methylated ammonium groups and tryptophan in the CHARMM36 additive force field HM Khan, AD MacKerell Jr, N Reuter Journal of chemical theory and computation 15 (1), 7-12, 2018 | 104 | 2018 |
| 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 | 101 | 2005 |
| 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 | 90 | 2010 |
| Cation− π interactions as lipid-specific anchors for phosphatidylinositol-specific phospholipase C C Grauffel, B Yang, T He, MF Roberts, A Gershenson, N Reuter Journal of the American Chemical Society 135 (15), 5740-5750, 2013 | 88 | 2013 |
| 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 | 82 | 2015 |
| 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 | 80 | 2013 |
| 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 | 77 | 2014 |
| Transconformations of the SERCA1 Ca-ATPase: a normal mode study N Reuter, K Hinsen, JJ Lacapère Biophysical journal 85 (4), 2186-2197, 2003 | 75 | 2003 |
| 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 | 71 | 2007 |
Hanif M. KhanUniversity of CalgaryVerified email at ucalgary.ca
