Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Christian Blau"'
Autor:
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
Full documentation for the GROMACS 2023 release version.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8db8b07fe550a7e2a7fb618a97cbdd29
Better detectors and automated data collection have generated a flood of high-resolution cryo-EM maps, which in turn has renewed interest in improving methods for determining structure models corresponding to these maps. However, automatically fittin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c79530bee445d842d6d09e85e853eef
https://doi.org/10.1101/2022.09.30.510249
https://doi.org/10.1101/2022.09.30.510249
Autor:
Arno Proeme, Richard Norman, Alexandre Bonvin, Rossen Apostolov, Christian Blau, Vytautas Gapsys, Gerrit Groenhof, Dmitry Morozov, Modi Vaibhav, Stian Soiland-Reyes
This report describes work carried out by the BioExcel Centre of Excellence to support and engage with its target user communities during the first 18 months of BioExcel-2, including work done to help ensure that BioExcel activities in all work packa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::604a223f6781dbfe2a8b2f8a0cbbb7a7
Autor:
Urška Rovšnik, Yuxuan Zhuang, Linnea Axelsson, Björn Forsberg, Victoria Lim, Marta Carroni, Christian Blau, Rebecca Howard, Erik Lindahl
Density guided simulations files .mrc files - CryoEM density half-maps for pH 7, pH 5, pH 3 .mdp - Option files for GROMACS simulations. One density guided mdp file and one annealing mdp file per pH data set .gro - Equilibrated starting model of manu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2438cc937c02165e2c47f4769619ce0c
Autor:
John Cowgill, Linnea Yvonnesdotter, Christian Blau, Rebecca J. Howard, Erik R. Lindahl, Lucie Delemotte
Publikováno v:
Biophysical Journal. 121:244a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f86a1dbecf67ae013903d539aa206ea9
https://doi.org/10.1016/j.bpj.2021.11.1523
https://doi.org/10.1016/j.bpj.2021.11.1523
Publikováno v:
Biophysical Journal. 121:31a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca13c4488d1cce25b095c29d73c5ba46
https://doi.org/10.1016/j.bpj.2021.11.2554
https://doi.org/10.1016/j.bpj.2021.11.2554
Publikováno v:
Journal of Chemical Theory and Computation. 14:63-71
A free energy landscape estimation method based on the well-known Gaussian mixture model (GMM) is used to compare the efficiencies of thermally enhanced sampling methods with respect to regular molecular dynamics. The simulations are carried out on t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb06d7d925a2da723cae07d5d2b32753
https://doi.org/10.1021/acs.jctc.7b00346
https://doi.org/10.1021/acs.jctc.7b00346
Publikováno v:
Biophysical Journal. 118:581a-582a
Cryo-EM Structure Determination and Model Fitting of the Proton-Gated Ligand-Gated Ion Channel glic at Multiple pH States
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9888289e1a42627ea3629eceaf47c996
https://doi.org/10.1016/j.bpj.2019.11.3155
https://doi.org/10.1016/j.bpj.2019.11.3155
Autor:
Linnea S. Axelsson, Urska Rovsnik, Rebecca J. Howard, Christian Blau, Marta Carroni, Erik Lindahl, Björn O. Forsberg, Yuxuan Zhuang
Publikováno v:
Biophysical Journal. 120:192a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c62feb604a670cbaba4af8053b9ff4d6
https://doi.org/10.1016/j.bpj.2020.11.1321
https://doi.org/10.1016/j.bpj.2020.11.1321
Autor:
Urska Rovsnik, Rebecca J. Howard, Erik Lindahl, Linnea S. Axelsson, Marie Lycksell, Victoria T. Lim, Christian Blau
Publikováno v:
Biophysical Journal. 120:173a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ee42bd0cb2f3679c6f1ff1664cdcdf8
https://doi.org/10.1016/j.bpj.2020.11.1220
https://doi.org/10.1016/j.bpj.2020.11.1220