All-atom simulation of PCV2 virus capsid using molecular dynamics in explicit water

163 15 560 3 2254 document 560 datasets.docx application/vnd.openxmlformats-officedocument.wordprocessingml.document 52f99ee2960ac1f4738fa3e198aed090 MD5 11864 2016-11-23 11:36:58 https://researchdata.aston.ac.uk/id/eprint/163/1/datasets.docx 163 1 1 application/vnd.openxmlformats-officedocument.wordprocessingml.document text en public cc_by_4

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563 1 2274 document 563 indexcodes.txt text/plain 83fcbbd42d5596a83b4015c5ae0c9359 MD5 79 2016-11-23 11:46:21 https://researchdata.aston.ac.uk/id/eprint/163/2/indexcodes.txt 163 2 2 text/plain other Generate index codes conversion from text to indexcodes en public

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http://eprints.org/relation/isVersionOf https://researchdata.aston.ac.uk/id/document/560 http://eprints.org/relation/isVolatileVersionOf https://researchdata.aston.ac.uk/id/document/560 http://eprints.org/relation/isIndexCodesVersionOf https://researchdata.aston.ac.uk/id/document/560 archive 3 disk0/00/00/01/63 2016-11-23 11:41:14 2022-03-10 12:26:00 2016-11-23 11:41:14 data_collection show Nerukh Dmitry Tarasova Elvira Farafonov Vladimir Khayat Reza Taiji Makoto Okimoto Noriaki Komatsu Teruhisa All-atom simulation of PCV2 virus capsid using molecular dynamics in explicit water unpub BL public 2016-11-23 Aston University 10.17036/6e8e1a26-aa8d-4cfc-aed1-551b081cd391 Text This dataset is the results of Molecular Dynamics simulations of an empty PCV2 virus capsid. It includes eight structures and 10 ns trajectories of MD simulations: four datasets are for capsid without N-termini and four datasets - with N-termini. Each simulation has been performed in two different forcefields (Amber and Gromos) and with different number of ions (correct number and low number of ions). GROMACS packages was used for all simulations. Nerukh Dmitry Aston University English 2014-12-01 2016-11-20 2026-11-23 Delete if data has not been accessed Aston Publications Explorer http://publications.aston.ac.uk/29933/