{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T01:00:43Z","timestamp":1740099643064,"version":"3.37.3"},"publisher-location":"Cham","reference-count":19,"publisher":"Springer International Publishing","isbn-type":[{"type":"print","value":"9783030406158"},{"type":"electronic","value":"9783030406165"}],"license":[{"start":{"date-parts":[[2020,1,1]],"date-time":"2020-01-01T00:00:00Z","timestamp":1577836800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020]]},"DOI":"10.1007\/978-3-030-40616-5_26","type":"book-chapter","created":{"date-parts":[[2020,2,13]],"date-time":"2020-02-13T06:02:59Z","timestamp":1581573779000},"page":"322-329","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Molecular Dynamics Performance Evaluation with Modern Computer Architecture"],"prefix":"10.1007","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9291-5210","authenticated-orcid":false,"given":"Emanuele","family":"Breuza","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1318-668X","authenticated-orcid":false,"given":"Giorgio","family":"Colombo","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6137-6453","authenticated-orcid":false,"given":"Daniele","family":"Gregori","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2879-3893","authenticated-orcid":false,"given":"Filippo","family":"Marchetti","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2020,2,14]]},"reference":[{"issue":"5565","key":"26_CR1","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1126\/science.1069040","volume":"296","author":"J.-P. Xiong","year":"2002","unstructured":"Xiong, J.P.: Crystal structure of the extracellular segment of integrin $$\\alpha $$V$$\\beta $$3 in complex with an Arg-Gly-Asp ligand. Science (2002). \nhttps:\/\/doi.org\/10.1126\/science.1069040","journal-title":"Science"},{"issue":"7013","key":"26_CR2","doi-asserted-by":"publisher","first-page":"59","DOI":"10.1038\/nature02976","volume":"432","author":"Tsan Xiao","year":"2004","unstructured":"Xiao, T.: Structural basis for allostery in integrins and binding to fibrinogen-mimetic therapeutics. Nature (2004). \nhttps:\/\/doi.org\/10.1038\/nature02976","journal-title":"Nature"},{"issue":"7","key":"26_CR3","doi-asserted-by":"publisher","first-page":"645","DOI":"10.2174\/138945009788680374","volume":"10","author":"A. Bandyopadhyay","year":"2009","unstructured":"Bandyopadhyay, A., et al.: Defining the role of Integrin $$\\alpha \\nu \\beta $$6 in Cancer. Curr. Drug Targ. (2009). \nhttps:\/\/doi.org\/10.2174\/138945009788680374","journal-title":"Current Drug Targets"},{"issue":"3","key":"26_CR4","doi-asserted-by":"publisher","first-page":"319","DOI":"10.1016\/S0092-8674(00)80545-0","volume":"96","author":"John S Munger","year":"1999","unstructured":"Munger, J.S.: A mechanism for regulating pulmonary inflammation and fibrosis: the integrin $$\\alpha \\nu \\beta $$6 binds and activates latent TGF $$\\beta $$1. Cell (1999). \nhttps:\/\/doi.org\/10.1016\/S0092-8674(00)80545-0","journal-title":"Cell"},{"issue":"5","key":"26_CR5","doi-asserted-by":"publisher","first-page":"4193","DOI":"10.1002\/jcb.26642","volume":"119","author":"Mingyan Xu","year":"2018","unstructured":"Xu, M., et al.: Epigenetic regulation of integrin $$\\beta $$6 transcription induced by TGF-$$\\beta $$1 in human oral squamous cell carcinoma cells. J. Cell. Biochem. (2018). \nhttps:\/\/doi.org\/10.1002\/jcb.26642","journal-title":"Journal of Cellular Biochemistry"},{"issue":"12","key":"26_CR6","doi-asserted-by":"publisher","first-page":"1422","DOI":"10.1038\/onc.2010.535","volume":"30","author":"M R Morgan","year":"2010","unstructured":"Morgan, M.R., et al.: Psoriasin (S100A7) associates with integrin $$\\beta 6$$ subunit and is required for $$\\alpha \\nu \\beta 6$$-dependent carcinoma cell invasion. Oncogene (2011). \nhttps:\/\/doi.org\/10.1038\/onc.2010.535","journal-title":"Oncogene"},{"issue":"12","key":"26_CR7","doi-asserted-by":"publisher","first-page":"1091","DOI":"10.1038\/nsmb.2905","volume":"21","author":"Xianchi Dong","year":"2014","unstructured":"Dong, X., et al.: Structural determinants of integrin $$\\beta $$-subunit specificity for latent TGF-$$\\beta $$. Nat. Struct. Mol. (2014). \nhttps:\/\/doi.org\/10.1038\/nsmb.2905","journal-title":"Nature Structural & Molecular Biology"},{"key":"26_CR8","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","volume":"1","author":"MJ Abraham","year":"2015","unstructured":"Abraham, M.J.: GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1, 19\u201325 (2015)","journal-title":"SoftwareX"},{"key":"26_CR9","unstructured":"The GNU Compiler Collection Homepage. \nhttps:\/\/gcc.gnu.org\/\n\n. Accessed 27 May 2019"},{"key":"26_CR10","unstructured":"OpenMPI Homepage. \nhttps:\/\/www.open-mpi.org\/\n\n. Accessed 27 May 2019"},{"key":"26_CR11","unstructured":"FFTW Hoempage. \nhttp:\/\/www.fftw.org\/\n\n. Accessed 27 May 2019"},{"issue":"2","key":"26_CR12","doi-asserted-by":"publisher","first-page":"195","DOI":"10.1002\/prot.24350","volume":"82","author":"Abil E. Aliev","year":"2013","unstructured":"Abil, E.A., et al.: Motional timescale predictions by molecular dynamics simulations: case study using proline and hydroxyproline sidechain dynamics. Proteins (2014). \nhttps:\/\/doi.org\/10.1002\/prot.24350","journal-title":"Proteins: Structure, Function, and Bioinformatics"},{"issue":"4","key":"26_CR13","doi-asserted-by":"publisher","first-page":"1493","DOI":"10.1021\/ct3000734","volume":"8","author":"Olof Alln\u00e9r","year":"2012","unstructured":"Allner, et al.: Magnesium ion-water coordination and exchange in biomolecular simulations. J. Chem. Theory Comput. (2012). \nhttps:\/\/doi.org\/10.1021\/ct3000734","journal-title":"Journal of Chemical Theory and Computation"},{"issue":"1","key":"26_CR14","doi-asserted-by":"publisher","first-page":"014101","DOI":"10.1063\/1.2408420","volume":"126","author":"Giovanni Bussi","year":"2007","unstructured":"Bussi, G., et al.: Canonical sampling through velocity-rescaling. J. Chem. Phys. (2007). \nhttps:\/\/doi.org\/10.1063\/1.2408420","journal-title":"The Journal of Chemical Physics"},{"issue":"12","key":"26_CR15","doi-asserted-by":"publisher","first-page":"7182","DOI":"10.1063\/1.328693","volume":"52","author":"M. Parrinello","year":"1981","unstructured":"Parrinello, M., Rahman, A.: Polymorphic transitions in single crystals: a new molecular dynamics method. J. Appl. Phys. (1981). \nhttps:\/\/doi.org\/10.1063\/1.328693","journal-title":"Journal of Applied Physics"},{"key":"26_CR16","doi-asserted-by":"publisher","unstructured":"Essman, U., et al.: A smooth particle mesh Ewald method. J. Chem. Phys. (1995). \nhttps:\/\/doi.org\/10.1063\/1.470117i","DOI":"10.1063\/1.470117i"},{"key":"26_CR17","unstructured":"http:\/\/manual.gromacs.org\/documentation\/2019-rc1\/reference-manual\/algorithms\/molecular-dynamics.html#the-leap-frog-integrator\n\n. Accessed 10 Jan 2019"},{"key":"26_CR18","doi-asserted-by":"publisher","unstructured":"Smith S., et al.: A performance analysis of the first generation of HPC-optimized arm processors. Concurr. Pract. Exp. Comput. (2019). \nhttps:\/\/doi.org\/10.1002\/cpe.5110","DOI":"10.1002\/cpe.5110"},{"issue":"1","key":"26_CR19","doi-asserted-by":"publisher","first-page":"e1005334","DOI":"10.1371\/journal.pcbi.1005334","volume":"13","author":"Antonella Paladino","year":"2017","unstructured":"Paladino, A., et al.: High affinity vs. native fibronectin in the modulation of $$\\alpha \\nu \\beta 3$$ integrin conformational dynamics: insights from computational analyses and implications for molecular design. Plos CB (2017). \nhttps:\/\/doi.org\/10.1371\/journal.pcbi.1005334","journal-title":"PLOS Computational Biology"}],"container-title":["Lecture Notes in Computer Science","Numerical Computations: Theory and Algorithms"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-030-40616-5_26","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,2,13]],"date-time":"2020-02-13T06:06:56Z","timestamp":1581574016000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-030-40616-5_26"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020]]},"ISBN":["9783030406158","9783030406165"],"references-count":19,"URL":"https:\/\/doi.org\/10.1007\/978-3-030-40616-5_26","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2020]]},"assertion":[{"value":"14 February 2020","order":1,"name":"first_online","label":"First Online","group":{"name":"ChapterHistory","label":"Chapter History"}},{"value":"NUMTA","order":1,"name":"conference_acronym","label":"Conference Acronym","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"International Conference on Numerical Computations: Theory and Algorithms","order":2,"name":"conference_name","label":"Conference Name","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"Crotone","order":3,"name":"conference_city","label":"Conference City","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"Italy","order":4,"name":"conference_country","label":"Conference Country","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"2019","order":5,"name":"conference_year","label":"Conference Year","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"15 June 2019","order":7,"name":"conference_start_date","label":"Conference Start Date","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"21 June 2019","order":8,"name":"conference_end_date","label":"Conference End Date","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"3","order":9,"name":"conference_number","label":"Conference Number","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"numta2019","order":10,"name":"conference_id","label":"Conference ID","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"http:\/\/si.deis.unical.it\/~yaro\/numta2019\/index.php","order":11,"name":"conference_url","label":"Conference URL","group":{"name":"ConferenceInfo","label":"Conference Information"}}]}}