المؤلفون: Vistoli, Giulio, Manelfi, Candida, Talarico, Carmine, Fava, Anna, Warshel, Arieh, Tetko, Igor V., Apostolov, Rossen, Ye, Yang, Latini, Chiara, Ficarelli, Federico, Palermo, Gianluca, Gadioli, Davide, Vitali, Emanuele, Varriale, Gaetano, Pisapia, Vincenzo, Scaturro, Marco, Coletti, Silvano, Gregori, Daniele, Gruffat, Daniel, Leija, Edgardo, Hessenauer, Sam, Delbianco, Alberto, Allegretti, Marcello, Beccari, Andrea R.

المصدر: Expert Opinion on Drug Discovery. 18(8):821-833

مصطلحات موضوعية: artificial intelligence, Collaborative computing, docking simulations, drug repurposing, SARS-CoV-2, virtual screening

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-334354Test
https://doi.org/10.1080/17460441.2023.2221025Test

المؤلفون: Markidis, Stefano, Lapenta, Giovanni, Apostolov, Rossen, Laure, Erwin

مصطلحات موضوعية: Physics - Computational Physics, Physics - Biological Physics, Physics - Plasma Physics

الوصول الحر: http://arxiv.org/abs/1205.2217Test

المؤلفون: Abraham, Mark J., Melquiond, Adrien S.J., Ippoliti, Emiliano, Gapsys, Vytautas, Hess, Berk, Trellet, Mikael, Rodrigues, João P.G.L.M., Laure, Erwin, Apostolov, Rossen, de Groot, Bert L., Bonvin, Alexandre M.J.J., Lindahl, Erik, Bauer, Paul, Teixeira, João Correia, Groenhof, Gerrit, Morozov, Dmitry, Honorato, Rodriga, Jimenez, Brian

مصطلحات موضوعية: scientific software, software engineering, life science software, biomolecular research

العلاقة: info:eu-repo/grantAgreement/EC/H2020/675728/; https://zenodo.org/communities/bioexcelTest; https://zenodo.org/record/6404474Test; https://doi.org/10.5281/zenodo.6404474Test; oai:zenodo.org:6404474

الإتاحة: https://doi.org/10.5281/zenodo.6404474Test
https://doi.org/10.5281/zenodo.1194633Test
https://zenodo.org/record/6404474Test

المؤلفون: Matser, Vera, Mendonca, Michelle, Apostolov, Rossen

العلاقة: info:eu-repo/grantAgreement/EC/H2020/675728/; https://zenodo.org/communities/bioexcelTest; https://zenodo.org/record/3564160Test; https://doi.org/10.5281/zenodo.3564160Test; oai:zenodo.org:3564160

الإتاحة: https://doi.org/10.5281/zenodo.3564160Test
https://doi.org/10.5281/zenodo.3564159Test
https://zenodo.org/record/3564160Test

المؤلفون: Abraham, Mark James, Apostolov, Rossen Pavlov, Barnoud, Jonathan, Bauer, Paul, Blau, Christian, Bonvin, Alexandre M.J.J., Chavent, Matthieu, Chodera, John Damon, Čondić-Jurkić, Karmen, Delemotte, Lucie, Grubmüller, Helmut, Howard, Rebecca J., Jordan, E. Joseph, Lindal, Erik, Ollila, O.H. Samuli, Selent, Jana, Smith, Daniel G. A., Stansfeld, Phill James, Tiemann, Johanna K. S., Trellet, Mikael, Woods, Christopher J., Zhmurov, Artem

المساهمون: Sub NMR Spectroscopy, NMR Spectroscopy

مصطلحات موضوعية: Taverne

وصف الملف: image/pdf

العلاقة: https://dspace.library.uu.nl/handle/1874/387046Test

الإتاحة: https://dspace.library.uu.nl/handle/1874/387046Test

المؤلفون: Abraham, Mark, Apostolov, Rossen, Barnoud, Jonathan, Bauer, Paul, Blau, Christian, Bonvin, Alexandre M.J.J., Chavent, Matthieu, Chodera, John, Čondić-Jurkić, Karmen, Delemotte, Lucie, Grubmüller, Helmut, Howard, Rebecca, J., Jordan, E. Joseph, Joseph, Lindahl, Erik, Ollila, O., Selent, Jana, Smith, Daniel, J, Stansfeld, Phillip, Tiemann, Johanna K.S., Trellet, Mikael, Woods, Christopher, Zhmurov, Artem

المساهمون: KTH Royal Institute of Technology Stockholm (KTH ), École des hautes études en sciences sociales (EHESS), Universiteit Utrecht / Utrecht University Utrecht, Institut de pharmacologie et de biologie structurale (IPBS), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Max Planck Institute for Biophysical Chemistry (MPI-BPC), Max-Planck-Gesellschaft, Stockholm University, University of Glasgow, Department of Biochemistry Oxford, University of Oxford, Bijvoet Center of Biomolecular Research Utrecht, University of Chicago

المصدر: ISSN: 1549-9596.

مصطلحات موضوعية: [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation

العلاقة: hal-02414754; https://hal.science/hal-02414754Test; https://hal.science/hal-02414754/documentTest; https://hal.science/hal-02414754/file/Abraham_et_al_arxiv.pdfTest

الإتاحة: https://doi.org/10.1021/acs.jcim.9b00665Test
https://hal.science/hal-02414754Test
https://hal.science/hal-02414754/documentTest
https://hal.science/hal-02414754/file/Abraham_et_al_arxiv.pdfTest

المؤلفون: Apostolov, Rossen, Robertshaw, Steve

مصطلحات موضوعية: branding, quality mark, software quality assessment

العلاقة: info:eu-repo/grantAgreement/EC/H2020/823830/; https://zenodo.org/communities/bioexcelTest; https://zenodo.org/record/5236160Test; https://doi.org/10.5281/zenodo.5236160Test; oai:zenodo.org:5236160

الإتاحة: https://doi.org/10.5281/zenodo.5236160Test
https://doi.org/10.5281/zenodo.5236159Test
https://zenodo.org/record/5236160Test

المؤلفون: Apostolov, Rossen, Giuliano, Angele, Harrow, Ian, Norman, Richard, Robertshaw, Steve, Westermaier, Yvonne

العلاقة: info:eu-repo/grantAgreement/EC/H2020/823830/; https://zenodo.org/communities/bioexcelTest; https://zenodo.org/record/5511791Test; https://doi.org/10.5281/zenodo.5511791Test; oai:zenodo.org:5511791

الإتاحة: https://doi.org/10.5281/zenodo.5511791Test
https://doi.org/10.5281/zenodo.5511790Test
https://zenodo.org/record/5511791Test

المؤلفون: Pronk, Sander, Pall, Szilard, Schulz, Roland, Larsson, Per, Bjelkmar, Pär, Apostolov, Rossen, Shirts, Michael R., Smith, Jeremy C., Kasson, Peter M., van der Spoel, David, Hess, Berk, Lindahl, Erik

المصدر: Swedish e-Science Research Centre eSSENCE – An eScience Collaboration Bioinformatics. 29(7):845-854

مصطلحات موضوعية: Force-Field, Free-Energy, Biomolecular Simulation, Dynamics, Model, Refinement, Transition, Efficient, Constant, Proteins

وصف الملف: electronic

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-121462Test
https://kth.diva-portal.org/smash/get/diva2:618644/FULLTEXT01.pdfTest

المؤلفون: Matser, Vera, Apostolov, Rossen, Carter, Adam, De Groot, Bert L., Harrow, Ian, Hospital, Adam, Ippoliti, Emiliano, Melquiond, Adrien, Soiland-Reyes, Stian, Trellet, Mikael

المصدر: Matser , V , Apostolov , R , Carter , A , De Groot , B L , Harrow , I , Hospital , A , Ippoliti , E , Melquiond , A , Soiland-Reyes , S & Trellet , M 2017 , ' Building biomolecular modelling communities through BioExcel Interest Groups ' , ISMB/ECCB 2017 , Prague , Czech Republic , 21/07/17 - 25/07/17 .

مصطلحات موضوعية: biomolecular, modelling, molecular dynamics, simulations, hpc, workflows, bioexcel

وصف الملف: application/pdf

الإتاحة: https://research.manchester.ac.uk/en/publications/1e6430b1-b5ca-42d7-9e82-5917ce4fd06fTest
https://pure.manchester.ac.uk/ws/files/57091527/bioexcel_ismb_2017_abstract.pdfTest
http://bioexcel.eu/community/interest-groupsTest/