المؤلفون: Maxim Igaev, Carsten Kutzner, Lars V Bock, Andrea C Vaiana, Helmut Grubmüller

المصدر: eLife, Vol 8 (2019)

مصطلحات موضوعية: cryo-EM, structure refinement, molecular dynamics, Medicine, Science, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://elifesciences.org/articles/43542; https://doaj.org/toc/2050-084X

URL الوصول: https://doaj.org/article/3735e46796954e399da7a0236631fb4f

المؤلفون: Mark Abraham, Andrey Alekseenko, Cathrine Bergh, Christian Blau, Eliane Briand, Mahesh Doijade, Stefan Fleischmann, Vytautas Gapsys, Gaurav Garg, Sergey Gorelov, Gilles Gouaillardet, Alan Gray, M. Eric Irrgang, Farzaneh Jalalypour, Joe Jordan, Christoph Junghans, Prashanth Kanduri, Sebastian Keller, Carsten Kutzner, Justin A. Lemkul, Magnus Lundborg, Pascal Merz, Vedran Miletić, Dmitry Morozov, Szilárd Páll, Roland Schulz, Michael Shirts, Alexey Shvetsov, Bálint Soproni, David van der Spoel, Philip Turner, Carsten Uphoff, Alessandra Villa, Sebastian Wingbermühle, Artem Zhmurov, Paul Bauer, Berk Hess, Erik Lindahl

مصطلحات موضوعية: Software MD Documentation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9d039b18159e427c813181695d764b9a

المؤلفون: Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller, Bert L. de Groot, Vytautas Gapsys

المصدر: Journal of Chemical Infomation and Modeling

مصطلحات موضوعية: FOS: Computer and information sciences, Computers, General Chemical Engineering, FOS: Physical sciences, Biomolecules (q-bio.BM), General Chemistry, Computational Physics (physics.comp-ph), Library and Information Sciences, Cloud Computing, Molecular Dynamics Simulation, Ligands, Computing Methodologies, Computer Science Applications, Computer Science - Distributed, Parallel, and Cluster Computing, Quantitative Biology - Biomolecules, Biological Physics (physics.bio-ph), FOS: Biological sciences, Drug Design, Distributed, Parallel, and Cluster Computing (cs.DC), Physics - Biological Physics, Physics - Computational Physics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::82c97492ea6e3651ef40e9c9b757b96f
https://hdl.handle.net/21.11116/0000-000A-65CE-D21.11116/0000-000A-65D0-921.11116/0000-000A-CA75-F

المؤلفون: Bert L. de Groot, Martin Fechner, Szilárd Páll, Ansgar Esztermann, Carsten Kutzner, Helmut Grubmüller

المصدر: Journal of Computational Chemistry

مصطلحات موضوعية: FOS: Computer and information sciences, Computer science, FOS: Physical sciences, Parallel computing, 010402 general chemistry, Communications system, 01 natural sciences, CUDA, 0103 physical sciences, Physics - Biological Physics, Computer Science - Performance, 010304 chemical physics, Biomolecules (q-bio.BM), General Chemistry, Computational Physics (physics.comp-ph), 0104 chemical sciences, Performance (cs.PF), Computational Mathematics, Computer Science - Distributed, Parallel, and Cluster Computing, Quantitative Biology - Biomolecules, Biological Physics (physics.bio-ph), FOS: Biological sciences, Benchmark (computing), Distributed, Parallel, and Cluster Computing (cs.DC), Physics - Computational Physics, Efficient energy use

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c729a9728d9e8f2a85d7f4d2f23742b
https://doi.org/10.1002/jcc.26011

المؤلفون: Andreas Beckmann, Carsten Kutzner, Helmut Grubmüller, Bartosz Kohnke, Gert Lube, Holger Dachsel, Ivo Kabadshow

المصدر: The international journal of high performance computing applications 35(1), 97-117 (2021). doi:10.1177/1094342020964857

مصطلحات موضوعية: 010304 chemical physics, Computer science, Fast multipole method, Near and far field, 01 natural sciences, Bottleneck, Theoretical Computer Science, Computational science, Task (project management), Gravitation, CUDA, Hardware and Architecture, 0103 physical sciences, ddc:004, 010303 astronomy & astrophysics, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ef234dcc255322339ffa2b8990e6b9c
https://juser.fz-juelich.de/record/889151

المؤلفون: Bartosz Kohnke, Gerrit Groenhof, Andreas Beckmann, Holger Dachsel, Plamen Dobrev, Thomas Ullmann, Helmut Grubmüller, David Haensel, Carsten Kutzner, Ivo Kabadshow, Berk Hess, Laura Morgenstern

المساهمون: Bungartz, H, Reiz, S, Uekermann, B, Neumann, P, Nagel, WE

المصدر: Software for Exascale Computing-SPPEXA 2016-2019 ISBN: 9783030479558
Software for Exascale Computing
Software for Exascale Computing-SPPEXA 2016-2019
Lecture Notes in Computational Science and Engineering
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 517-543 (2020).

مصطلحات موضوعية: Computer science, Fast multipole method, 05 social sciences, Fast Fourier transform, 050301 education, Supercomputer, Electrostatics, biomolekyylit, Computational science, Molecular dynamics, CUDA, sähköstatiikka, Particle Mesh, Scalability, Overhead (computing), simulointi, 0501 psychology and cognitive sciences, SIMD, 0503 education, 050104 developmental & child psychology

وصف الملف: application/pdf; fulltext

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74f85db29d86cc358028b596ef7a01f9
https://doi.org/10.1007/978-3-030-47956-5_17

المؤلفون: Carsten Kutzner

المصدر: Sales Excellence. 29:26-27

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0293d6a75cdebaf3058408d62da02a3c
https://doi.org/10.1007/s35141-020-0371-1

المؤلفون: Carsten Kutzner

المصدر: Sales Excellence. 29:40-41

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ad2d2f3951c63cf7ab83031929b43d8b
https://doi.org/10.1007/s35141-020-0289-7

المؤلفون: Andrea C. Vaiana, Carsten Kutzner, Maxim Igaev, Helmut Grubmueller, Lars V. Bock

المصدر: eLife
eLife, Vol 8 (2019)

مصطلحات موضوعية: Materials science, QH301-705.5, Computer science, Cryo-electron microscopy, Structural Biology and Molecular Biophysics, Science, Biophysics, structure refinement, Molecular Dynamics Simulation, Overfitting, General Biochemistry, Genetics and Molecular Biology, Force field (chemistry), Correlation, Automation, Molecular dynamics, None, Biology (General), General Immunology and Microbiology, General Neuroscience, Cryoelectron Microscopy, Molecular biophysics, Computational Biology, Ranging, General Medicine, molecular dynamics, Tools and Resources, Chemical physics, Simulated annealing, cryo-EM, Medicine, Algorithm

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3409c428be1aa932383dac6ab309145
https://hdl.handle.net/21.11116/0000-0003-3DF4-621.11116/0000-0003-3DF5-521.11116/0000-0003-1C93-8

المؤلفون: Carsten Kutzner, Maxim Igaev, Andrea C. Vaiana, Lars V. Bock, Helmut Grubmüller

مصطلحات موضوعية: Molecular dynamics, Materials science, Cryo-electron microscopy, Structure (category theory), Biological system

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2dd08e51dd62a4c90e9433bf33b9d72d
https://doi.org/10.7554/elife.43542.039