HITS Publications

2017

• Morel B, Flouri T, Stamatakis A (2017). A novel heuristic for data distribution in massively parallel phylogenetic inference using site repeats, In Proceedings of 19th Conference on High Performance Computing and Communications (HPCC), Bangkok, Thailand., IEEE, Dec 2017 217
• Amaral M, Kokh DB, Bomke J, Wegener A, Buchstaller HP, Eggenweiler HM, Matias P, Sirrenberg C, Wade RC, Frech M (2017). Protein conformational flexibility modulates kinetics and thermodynamics of drug binding, Nat Commun 8(1),2276 266
• Farnham A, Kurz C, Öztürk MA, Solbiati M, Myllyntaus O, Meekes J, Pham TM, Paz C, Langiewicz M, Andrews S, Kanninen L, Agbemabiese C, Guler AT, Durieux J, Jasim S, Viessmann O, Frattini S, Yembergenova D, Benito CM, Porte M, Grangeray-Vilmint A, Curiel RP, Rehncrona C, Malas T, Esposito F, Hettne K (2017). Early career researchers want Open Science, Genome Biol 18(1),221 268
• Panecka-Hofman J, Pöhner I, Spyrakis F, Zeppelin T, Pisa FD, Iacono LD, Bonucci A, Quotadamo A, Venturelli A, Mangani S, Costi M, Wade RC (2017). Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors, Biochimica et Biophysica Acta (BBA) - General Subjects 1861(12):3215-3230 274
• Rafiullah R, Long AB, Ivanova AA, Ali H, Berkel S, Mustafa G, Paramasivam N, Schlesner M, Wiemann S, Wade RC, Bolthauser E, Blum M, Kahn RA, Caspary T, Rappold GA (2017). A novel homozygous ARL13B variant in patients with Joubert syndrome impairs its guanine nucleotide-exchange factor activity, Eur J Hum Genet 25(12):1324-1334 275
• Noebauer UM, Kromer M, Taubenberger S, Baklanov P, Blinnikov S, Sorokina E, Hillebrandt W (2017). Early light curves for Type Ia supernova explosion models, Monthly Notices of the Royal Astronomical Society 472(3):2787-2799 306
• Bauswein A, Just O, Janka H, Stergioulas N (2017). Neutron-star Radius Constraints from GW170817 and Future Detections, ApJ 850(2):L34 310
• Chatziioannou K, Clark JA, Bauswein A, Millhouse M, Littenberg TB, Cornish N (2017). Inferring the post-merger gravitational wave emission from binary neutron star coalescences, Phys. Rev. D 96(12) 313
• Higl J, Weiss A (2017). Testing stellar evolution models with detached eclipsing binaries, A&A 608:A62 1251
• Myers CJ, Bader G, Gleeson P, Golebiewski M, Hucka M, Novere NL, Nickerson DP, Schreiber F, Waltemath D (2017). A brief history of COMBINE, 2017 Winter Simulation Conference (WSC),pp.884-895,IEEE 1347
• Gieseke F, Polsterer KL, Mahabal A, Igel C, Heskes T (2017). Massively-parallel best subset selection for ordinary least-squares regression, 2017 IEEE Symposium Series on Computational Intelligence (SSCI),pp.1-8,IEEE 207
• Barna B, Szalai T, Kromer M, Kerzendorf WE, Vinkó J, Silverman JM, Marion GH, Wheeler JC (2017). Abundance tomography of Type Iax SN 2011ay with tardis, Monthly Notices of the Royal Astronomical Society 471(4):4865-4877 303
• Smartt SJ, Chen T, Jerkstrand A, Coughlin M, Kankare E, Sim SA, Fraser M, Inserra C, Maguire K, Chambers KC, Huber ME, Krühler T, Leloudas G, Magee M, Shingles LJ, Smith KW, Young DR, Tonry J, Kotak R, Gal-Yam A, Lyman JD, Homan DS, Agliozzo C, Anderson JP, Angus CR, Ashall C, Barbarino C, Bauer FE, Berton M, Botticella MT, Bulla M, Bulger J, Cannizzaro G, Cano Z, Cartier R, Cikota A, Clark P, Cia AD, Valle MD, Denneau L, Dennefeld M, Dessart L, Dimitriadis G, Elias-Rosa N, Firth RE, Flewelling H, Flörs A, Franckowiak A, Frohmaier C, Galbany L, González-Gaitán S, Greiner J, Gromadzki M, Guelbenzu AN, Gutiérrez CP, Hamanowicz A, Hanlon L, Harmanen J, Heintz KE, Heinze A, Hernandez M, Hodgkin ST, Hook IM, Izzo L, James PA, Jonker PG, Kerzendorf WE, Klose S, Kostrzewa-Rutkowska Z, Kowalski M, Kromer M, Kuncarayakti H, Lawrence A, Lowe TB, Magnier EA, Manulis I, Martin-Carrillo A, Mattila S, McBrien O, Müller A, Nordin J, O’Neill D, Onori F, Palmerio JT, Pastorello A, Patat F, Pignata G, Podsiadlowski P, Pumo ML, Prentice SJ, Rau A, Razza A, Rest A, Reynolds T, Roy R, Ruiter AJ, Rybicki KA, Salmon L, Schady P, Schultz ASB, Schweyer T, Seitenzahl IR, Smith M, Sollerman J, Stalder B, Stubbs CW, Sullivan M, Szegedi H, Taddia F, Taubenberger S, Terreran G, Soelen Bv, Vos J, Wainscoat RJ, Walton NA, Waters C, Weiland H, Willman M, Wiseman P, Wright DE, Wyrzykowski Ł, Yaron O (2017). A kilonova as the electromagnetic counterpart to a gravitational-wave source, Nature 551(7678):75-79 305
• Bauswein A, Stergioulas N (2017). Semi-analytic derivation of the threshold mass for prompt collapse in binary neutron-star mergers, Monthly Notices of the Royal Astronomical Society 471(4):4956-4965 307
• Wittig U, Rey M, Weidemann A, Müller W (2017). Data management and data enrichment for systems biology projects, Journal of Biotechnology 261:229-237 1177
• Pan Y-, Foley R, Kromer M, Fox O, Zheng W, Challis P, Clubb K, Filippenko A, Folatelli G, Graham M, Hillebrandt W, Kirshner R, Lee W, Pakmor R, Patat F, Phillips M, Pignata G, Ropke F, Seitenzahl I, Silverman J, Simon J, Sternberg A, Stritzinger M, Taubenberger S, Vinko J, Wheeler J (2017). VizieR Online Data Catalog: From optical to infrared photometry of SN 2013dy (Pan+, 2015), VizieR Online Data Catalog:J/MNRAS/452/4307 1244
• Abbott B, Abbott R, Abbott T, Acernese F, Ackley K, Adams C, Adams T, Addesso P, Adhikari R, Adya V, al. e (2017). Multi-messenger Observations of a Binary Neutron Star Merger, ApJ 848(2):L12 304
• Hachinger S, Röpke FK, Mazzali PA, Gal-Yam A, Maguire K, Sullivan M, Taubenberger S, Ashall C, Campbell H, Elias-Rosa N, Feindt U, Greggio L, Inserra C, Miluzio M, Smartt SJ, Young D (2017). Type Ia supernovae with and without blueshifted narrow Na I D lines – how different is their structure?, Monthly Notices of the Royal Astronomical Society 471(1):491-506 298
• Guilet J, Bauswein A, Just O, Janka H (2017). Magnetorotational instability in neutron star mergers: impact of neutrinos, Monthly Notices of the Royal Astronomical Society 471(2):1879-1887 311
• Baba S (2017). 2π-Grafting and complex projective structures with generic holonomy, Geom. Funct. Anal. 27(5):1017-1069 998
• Linciano P, Dawson A, Pöhner I, Costa DM, Sá MS, Cordeiro-da-Silva A, Luciani R, Gul S, Witt G, Ellinger B, Kuzikov M, Gribbon P, Reinshagen J, Wolf M, Behrens B, Hannaert V, Michels PAM, Nerini E, Pozzi C, Pisa Fd, Landi G, Santarem N, Ferrari S, Saxena P, Lazzari S, Cannazza G, Freitas-Junior LH, Moraes CB, Pascoalino BS, Alcântara LM, Bertolacini CP, Fontana V, Wittig U, Müller W, Wade RC, Hunter WN, Mangani S, Costantino L, Costi MP (2017). Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery, ACS Omega 2(9):5666-5683 270
• Schmelzle S, Kamp Tvd, Heethoff M, Heuveline V, Lösel P, Becker J, Beckmann F, Schluenzen F, Hammel JU, Kopmann A, Mexner W, Vogelgesang M, Jerome NT, Betz O, Beutel R, Wipfler B, Blanke A, Harzsch S, Hörnig M, Baumbach T (2017). The NOVA project: maximizing beam time efficiency through synergistic analyses of SRμCT data, Developments in X-Ray Tomography XI,p.24,SPIE 253
• Polsterer K (2017). Astroinformatics; a new discipline or business as usual?, In Astronomical Data Analysis Software an Systems XXVII (ADASS XXVII), vol. 496 of Astronomical Society of the Pacific Conference Series, Eds: Taylor, A. R. and Rosolowsky, E., Sep 2017 209
• Jedwabny W, Panecka-Hofman J, Dyguda-Kazimierowicz E, Wade RC, Sokalski WA (2017). Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition, J Comput Aided Mol Des 31(8):715-728 269
• Barsukow W, Edelmann PVF, Klingenberg C, Miczek F, Röpke FK (2017). A Numerical Scheme for the Compressible Low-Mach Number Regime of Ideal Fluid Dynamics, J Sci Comput 72(2):623-646 294
• Edelmann PVF, Röpke FK, Hirschi R, Georgy C, Jones S (2017). Testing a one-dimensional prescription of dynamical shear mixing with a two-dimensional hydrodynamic simulation, A&A 604:A25 296
• Hartnick T, Ott A (2017). Perturbations of the Spence-Abel equation and deformations of the dilogarithm function, Math. Ann. 368(3-4):1399-1428 953
• Stank A, Kokh DB, Horn M, Sizikova E, Neil R, Panecka J, Richter S, Wade RC (2017). TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets., Nucleic Acids Research 45(W1):W325-W330 277
• Petrushevska T, Amanullah R, Bulla M, Kromer M, Ferretti R, Goobar A, Papadogiannakis S (2017). Testing for redshift evolution of Type Ia supernovae using the strongly lensed PS1-10afx at z = 1.4, A&A 603:A136 302
• Li Y, Gryn'ova G, Saenz F, Jeanbourquin X, Sivula K, Corminboeuf C, Waser J (2017). Heterotetracenes: Flexible Synthesis and in Silico Assessment of the Hole-Transport Properties, Chem. Eur. J. 23(33):8058-8065 500
• Schuetz DA, Witte WEAd, Wong YC, Knasmueller B, Richter L, Kokh DB, Sadiq SK, Bosma R, Nederpelt I, Heitman LH, Segala E, Amaral M, Guo D, Andres D, Georgi V, Stoddart LA, Hill S, Cooke RM, Graaf CD, Leurs R, Frech M, Wade RC, Lange ECMd, IJzerman AP, Müller-Fahrnow A, Ecker GF (2017). Kinetics for Drug Discovery: an industry-driven effort to target drug residence time, Drug Discovery Today 22(6):896-911 276
• Moreau CA, Bhargav SP, Kumar H, Quadt KA, Piirainen H, Strauss L, Kehrer J, Streichfuss M, Spatz JP, Wade RC, Kursula I, Frischknecht F (2017). A unique profilin-actin interface is important for malaria parasite motility, PLoS Pathog 13(5):e1006412 271
• Nillegoda NB, Stank A, Malinverni D, Alberts N, Szlachcic A, Barducci A, Rios PDL, Wade RC, Bukau B (2017). Evolution of an intricate J-protein network driving protein disaggregation in eukaryotes., eLife 6,e24560 272
• Wagner J (2017). Generalised model-independent characterisation of strong gravitational lenses. I. Theoretical foundations, A&A 601:A131 203
• Czech L, Huerta-Cepas J, Stamatakis A (2017). A Critical Review on the Use of Support Values in Tree Viewers and Bioinformatics Toolkits, Molecular Biology and Evolution 34(6):1535-1542 113
• Pisa FD, Landi G, Iacono LD, Pozzi C, Borsari C, Ferrari S, Santucci M, Santarem N, Cordeiro-da-Silva A, Moraes C, Alcantara L, Fontana V, Freitas-Junior L, Gul S, Kuzikov M, Behrens B, Pöhner I, Wade R, Costi M, Mangani S (2017). Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity, Molecules 22(3):426 267
• Ohlmann ST, Röpke FK, Pakmor R, Springel V (2017). Constructing stable 3D hydrodynamical models of giant stars, A&A 599:A5 292
• Röpke F (2017). Combustion in thermonuclear supernova explosions, In Handbook of Supernovae, pp. 1185-1209, Eds: Alsabti, A. and Murdin, P., Springer 297
• Simon GB, Burger M, Hartnick T, Iozzi A, Wienhard A (2017). On weakly maximal representations of surface groups, J. Differential Geom. 105(3):375-404 894
• Müller W, Bittkowski M, Golebiewski M, Kania R, Rey M, Weidemann A, Wittig U (2017). SABIO-RK, von Daten in der Publikation zur Suchlösung für Spezialisten, Datenbank Spektrum 17(1):21-28 1346
• Côté B, Ritter C, Herwig F, O’Shea BW, Pignatari M, Silvia D, Jones S, Fryer CL (2017). JINA-NuGrid Galactic Chemical Evolution Pipeline, Proceedings of the 14th International Symposium on Nuclei in the Cosmos (NIC2016),Journal of the Physical Society of Japan 1487
• Terada Y, Maeda K, Fukazawa Y, Bamba A, Ueda Y, Katsuda S, Enoto T, Takahashi T, Tamagawa T, Röpke FK, Summa A, Diehl R (2017). Soft Gamma-ray Observation of SN2014J with Suzaku, Proceedings of the 14th International Symposium on Nuclei in the Cosmos (NIC2016),Journal of the Physical Society of Japan 299
• Just O, Goriely S, Bauswein A, Obergaulinger M, Pulpillo RA, Janka H (2017). Impact of Neutrino Interactions on Outflows of Neutron-Star Mergers, Proceedings of the 14th International Symposium on Nuclei in the Cosmos (NIC2016),Journal of the Physical Society of Japan 312
• Towards Cognition-Guided Patient-Specific Numerical Simulation for Cardiac Surgery Assistance (Doctoral Thesis) 1659
• Hocq L, Sénéchal F, Lefebvre V, Lehner A, Domon J, Mollet J, Dehors J, Pageau K, Marcelo P, Guérineau F, Kolšek K, Mercadante D, Pelloux J (2017). Combined Experimental and computational approaches reveal distinct pH-dependence of pectin methyl esterase inhibitors, Plant Physiol. 173(2):1075-1093 164
• Wright WP, Kneller JP, Ohlmann ST, Röpke FK, Scholberg K, Seitenzahl IR (2017). Neutrinos from type Ia supernovae: The gravitationally confined detonation scenario, Phys. Rev. D 95(4) 293
• Sanders A (2017). Domains of discontinuity for almost-Fuchsian groups, Trans. Amer. Math. Soc. 369(2):1291-1308 958
• Sasdelli M, Hillebrandt W, Kromer M, Ishida EEO, Röpke FK, Sim SA, Pakmor R, Seitenzahl IR, Fink M (2017). A metric space for Type Ia supernova spectra: a new method to assess explosion scenarios, Mon. Not. R. Astron. Soc. 466(4):3784-3809 291
• Johansson J, Goobar A, Kasliwal MM, Helou G, Masci F, Tinyanont S, Jencson J, Cao Y, Fox OD, Kromer M, Amanullah R, Banerjee DPK, Joshi V, Jerkstrand A, Kankare E, Prince TA (2017). Spitzer observations of SN 2014J and properties of mid-IR emission in Type Ia supernovae, Mon. Not. R. Astron. Soc. 466(3):3442-3449 301
• Cruz-Chú ER, Xiao S, Patil SP, Gkagkas K, Gräter F (2017). Organic Filling Mitigates Flaw-Sensitivity of Nanoscale Aragonite, ACS Biomater. Sci. Eng. 3(3):260-268 162
• Denissenkov PA, Herwig F, Battino U, Ritter C, Pignatari M, Jones S, Paxton B (2017). i-process Nucleosynthesis and Mass Retention Efficiency in He-shell Flash Evolution of Rapidly Accreting White Dwarfs, ApJ 834(2):L10 289
• Wolstencroft K, Krebs O, Snoep JL, Stanford NJ, Bacall F, Golebiewski M, Kuzyakiv R, Nguyen Q, Owen S, Soiland-Reyes S, Straszewski J, van Niekerk DD, Williams AR, Malmström L, Rinn B, Müller W, Goble C (2017). FAIRDOMHub: a repository and collaboration environment for sharing systems biology research, Nucleic Acids Res 45(D1):D404-D407 9
• Posch S, Aponte-Santamaría C, Schwarzl R, Karner A, Radtke M, Gräter F, Obser T, König G, Brehm MA, Gruber HJ, Netz RR, Baldauf C, Schneppenheim R, Tampé R, Hinterdorfer P (2017). Mutual A domain interactions in the force sensing protein von Willebrand factor, Journal of Structural Biology 197(1):57-64 161
• Schwaiger N (2017). MC3 für phylogenetische Bäume und molekulare Datierung (Master's Thesis), Mathematics, Karlsruhe Institute of Technology, 2017, Alexandros Stamatakis and Tilmann Gneiting(Tutor) 210
• Lutteropp S (2017). Error-Profile-Aware Correction of Next Generation Sequencing Read (Master's Thesis), Computer Science, Karlsruhe Institute of Technology, 2017, Alexandros Stamatakis(Tutor) 211
• Berney C, Ciuprina A, Bender S, Brodie J, Edgcomb V, Kim E, Rajan J, Parfrey LW, Adl S, Audic S, others (2017). UniEuk: Time to Speak a Common Language in Protistology!, Journal of Eukaryotic Microbiology, 64(3):407-411 212
• Ratmann O, Wymant C, Colijn C, Danaviah S, Essex M, Frost SD, Gall A, Gaiseitsiwe S, Grabowski M, Gray R, others (2017). HIV-1 full-genome phylogenetics of generalized epidemics in sub-Saharan Africa: impact of missing nucleotide characters in next-generation sequences, AIDS Research and Human Retroviruses, 33(11):1083-1098 213
• Zhou X, Lutteropp S, Czech L, Stamatakis A, Looz Mv, Rokas A (2017). Quartet-based computations of internode certainty provide accurate and robust measures of phylogenetic incongruence, biorxiv;168526v1,[Preprint] 214
• Flouri T, Zhang J, Czech L, Kobert K, Stamatakis A (2017). An Efficient Approach to Merging Paired-End Reads and Incorporation of Uncertainties, In Algorithms for Next-Generation Sequencing Data, pp. 299-325, Springer 215
• Biczok R, Bozsoky P, Eisenmann P, Ernst J, Ribizel T, Scholz F, Trefzer A, Weber F, Hamann M, Stamatakis A (2017). Two C++ Libraries for Counting Trees on a Phylogenetic Terrace, biorxiv;211276v1,[Preprint] 216
• Bank S, Sann M, Mayer C, Meusemann K, Donath A, Podsiadlowski L, Kozlov A, Petersen M, Krogmann L, Meier R, others (2017). Transcriptome and target DNA enrichment sequence data provide new insights into the phylogeny of vespid wasps (Hymenoptera: Aculeata: Vespidae), Molecular Phylogenetics and Evolution, 116:213-226 218
• Peters RS, Krogmann L, Mayer C, Donath A, Gunkel S, Meusemann K, Kozlov A, Podsiadlowski L, Petersen M, Lanfear R, others (2017). Evolutionary history of the Hymenoptera, Current Biology, 27(7):1013-1018 219
• Šmíd J, Moravec J, Gvoždík V, Štundl J, Frynta D, Lymberakis P, Kapli P, Wilms T, Schmitz A, Shobrak M, Yousefkhani S, Rastegar-Pouyani E, Castilla A, Els J, Mayer W (2017). Cutting the Gordian Knot: Phylogenetic and ecological diversification of the Mesalina brevirostris species complex (Squamata, Lacertidae), Zoologica Scripta, 46(6):649-664 220
• Ahmadzadeh F, Lymberakis P, Pirouz RS, Kapli P (2017). The evolutionary history of two lizards (Squamata: Lacertidae) is linked to the geological development of Iran, Zoologischer Anzeiger - A Journal of Comparative Zoology, 270(Supplement C):49-56 221
• Grímsson F, Kapli P, Hofmann C, Zetter R, Grimm G (2017). Eocene Loranthaceae pollen pushes back divergence ages for major splits in the family, PeerJ, 5:e3373 222
• Ehm W, Ovcharov E (2017). Bias-corrected score decomposition for generalized quantiles, Biometrika, 104(2):473–480 223
• Gneiting T (2017). When is the mode functional the Bayes classifier?, Stat, 6(1):204–206 225
• Hemri S, Klein B (2017). Analog-based postprocessing of navigation-related hydrological ensemble forecasts, Water Resources Research, 53(11):9059–9077 226
• Lerch S, Baran S (2017). Similarity-based semilocal estimation of post-processing models, Journal of the Royal Statistical Society: Series C (Applied Statistics), 66(1):29–51 228
• Lerch S, Thorarinsdottir TL, Ravazzolo F, Gneiting T (2017). Forecaster’s dilemma: Extreme events and forecast evaluation, Statistical Science, 32(1):106–127 229
• Schmidt P (2017). Discussion of “Elicitability and backtesting: Perspectives for banking regulation”, Annals of Applied Statistics, 11(4):1883–1885 230
• Baumann M, Effinger M, Eller D, Heuveline V, Kempf C, Loos L, Maylein L, Peltzer J, Pfeiffer M, Probst V, others (2017). heiMAP: Virtueller Kartentisch, E-Science-Tage 2017: Forschungsdaten managen 231
• Baumann M, Gehbart F, Mattes O, Nikas S, Heuveline V (2017). Development and implementation of a temperature monitoring system for HPC systems, Parallel-Algorithmen, -Rechnerstrukturen und -Systemsoftware (PARS),Gesellschaft für Informatik e.V.,2017 232
• Bertsch V, Fichtner W, Heuveline V, Leibfried T (2017). Advances in Energy System Optimization: Proceedings of the first International Symposium on Energy System Optimization, Springer International Publishing 233
• Maier-Hein L, Vedula SS, Speidel S, Navab N, Kikinis R, Park A, Eisenmann M, Feussner H, Forestier G, Giannarou S, Hashizume M, Katic D, Kenngott H, Kranzfelder M, Malpani A, März K, Neumuth T, Padoy N, Pugh CM, Schoch N, Stoyanov D, Taylor RH, Wagner M, Hager GD, Jannin P (2017). Surgical Data Science: Enabling Next-Generation Surgery, arXiv, vol. abs/1701.06482 234
• Loderer T, Heuveline V (2017). New sparsing approach for real-time simulations of stiff models on electronic control units, Preprint Series of the Engineering Mathematics and Computing Lab, vol. 0(02) 235
• Schoch N, Heuveline V (2017). Towards an Intelligent Framework for Personalized Simulation-enhanced Surgery Assistance: Linking a Simulation Ontology to a Reinforcement Learning Algorithm for Calibration of Numerical Simulations, Preprint Series of the Engineering Mathematics and Computing Lab, vol. 0(05) 236
• Gawlok S, Gerstner P, Haupt S, Heuveline V, Kratzke J, Lösel P, Mang K, Schmidtobreick M, Schoch N, Schween N, Schwegler J, Song C, Wlotzka M (2017). HiFlow3 – Technical Report on Release 2.0, Preprint Series of the Engineering Mathematics and Computing Lab, vol. 0(06) 237
• Heuveline V, Schick M, Webster C, Zaspel P (2017). Uncertainty Quantification and High Performance Computing (Dagstuhl Seminar 16372), In Dagstuhl Reports Number 9, vol. 6 238
• Klatt S, Kraus D, Kraft P, Breuer L, Wlotzka M, Heuveline V, Haas E, Kiese R, Butterbach-Bahl K (2017). Exploring impacts of vegetated buffer strips on nitrogen cycling using a spatially explicit hydro-biogeochemical modeling approach, Environmental Modelling & Software, 90:55–67 239
• Lösel P, Heuveline V (2017). A GPU Based Diffusion Method for Whole-Heart and Great Vessel Segmentation, Reconstruction, Segmentation, and Analysis of Medical Images 10129:121-128,Springer International Publishing 240
• Meyer-Hübner N, Suriyah M, Leibfried T, Slednev V, Bertsch V, Fichtner W, Gerstner P, Schick M, Heuveline V (2017). Optimal Storage Operation with Model Predictive Control in the German Transmission Grid, Advances in Energy System Optimization,pp.31-45,Springer International Publishing 241
• Schoch N, Engelhardt S, Simone RD, Wolf I, Heuveline V (2017). High Performance Computing for Cognition-Guided Cardiac Surgery: Soft Tissue Simulation for Mitral Valve Reconstruction in Knowledge-based Surgery Assistance, Modeling, Simulation and Optimization of Complex Processes HPSC 2015,pp.205-221,Springer International Publishing 243
• Schoch N, Heuveline V (2017). Towards Cognition-Guided Patient-Specific FEM-based Cardiac Surgery Simulation, Functional Imaging and Modelling of the Heart 10263:115-126,Springer International Publishing 244
• Slednev V, Ruppert M, Bertsch V, Fichtner W, Meyer-Hübner N, Suriyah M, Leibfried T, Gerstner P, Schick M, Heuveline V (2017). Regionalizing Input Data for Generation and Transmission Expansion Planning Models, Advances in Energy System Optimization,pp.205-217,Springer International Publishing 245
• Song C, Stoll M, Giske K, Bendl R, Heuveline V (2017). Sparse Grids for quantifying motion uncertainties in biomechanical models of radiotherapy patients, Preprint Series of the Engineering Mathematics and Computing Lab, vol. 0(01) 246
• Song C, Heuveline V (2017). Multilevel preconditioner of Polynomial Chaos Method for quantifying uncertainties in a blood pump, In International Conference on Uncertainty Quantification in Computational Sciences and Engineering (UNCECOMP), Greece, 2017, Scopus, Elsevier 247
• Wlotzka M, Heuveline V (2017). Energy-efficient multigrid smoothers and grid transfer operators on multi-core and GPU clusters, Journal of Parallel and Distributed Computing, 100:181–192 248
• Wlotzka M, Heuveline V, Dolz MF, Heidari MR, Ludwig T, Malossi ACI, Quintana-Orti ES (2017). Energy-Aware High Performance Computing, In ICT-Energy Concepts for Energy Efficiency and Sustainability, InTech 249
• Wlotzka M, Heuveline V, Klatt S, Kraus D, Haas E, Kiese R, Butterbach-Bahl K, Kraft P, Breuer L (2017). Parallel multiphysics simulations using OpenPALM with application to hydrology-biogeochemistry coupling, In Modeling, Simulation and Optimization of Complex Processes - HPSC 2015, Eds: Bock, H.G. and Phu, H.X. and Rannacher, R. and Schlöder, J.P., Springer 250
• Wlotzka M, Heuveline V (2017). An energy-efficient parallel multigrid methods for multi-core CPU platforms and HPC clusters, EMCL Preprint Series, vol. 03 251
• Wlotzka M, Morel T, Piacentini A, Heuveline V (2017). New features for advanced dynamic parallel communication routines in OpenPALM: Algorithms and documentation, EMCL Preprint Series, vol. 04 252
• Mercadante D, Wagner JA, Aramburu IV, Lemke EA, Gräter F (2017). Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins, Journal of Chemical Theory and Computation, 13:3964–3974 254
• Daday C, Kolšek K, Gräter F (2017). The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations, Scientific Reports, 7:11669 255
• Aponte-Santamaría C, Brunken J, Gräter F (2017). Stress propagation through biological lipid bilayers in silico, JACS Communication, 139:13588–13591 256
• Kolšek K, Aponte-Santamaría C, Gräter F (2017). Accessibility explains preferred thiol-disulfide isomerization in a protein domain., Scientific Reports, 7:9858 257
• Aponte-Santamarı́a C, Fischer G, Båth P, Neutze R, Groot Bd (2017). Temperature dependence of protein-water interactions in a gated yeast aquaporin., Scientific Reports, 7:4016 258
• Briones B, Aponte-Santamarı́a C, Groot Bd (2017). Localization and ordering of lipids around Aquaporin-0: Protein and lipid mobility effects., Frontiers in Physiology, 8:124 259
• Aponte-Santamaría C, Lippok S, Mittag JJ, Obser T, Schneppenheim R, Baldauf C, Gräter F, Budde U, Rädler JO (2017). Mutation G1629E increases von Willebrand factor cleavage via a cooperative destabilization mechanism., Biophysical Journal, 112:57–65 260
• Wagner JA, Patil SP, Greving I, Lämmel M, Gkagkas K, Seydel T, Müller M, Markert B, Gräter F (2017). Stress-induced long-range ordering in spider silk, Scientific Reports, 7:15273 261
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