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Structures of MERS-CoV macro domain in aqueous solution with dynamics: Impacts of parallel tempering simulation techniques and CHARMM36m and AMBER99SB force field parameters.
Akbayrak, Ibrahim Yagiz; Caglayan, Sule Irem; Durdagi, Serdar; Kurgan, Lukasz; Uversky, Vladimir N; Ulver, Burak; Dervisoglu, Havvanur; Haklidir, Mehmet; Hasekioglu, Orkun; Coskuner-Weber, Orkid.
Affiliation
  • Akbayrak IY; Materials Sciences and Technologies, College of Sciences, Turkish-German University, Istanbul, Turkey.
  • Caglayan SI; Molecular Biotechnology, College of Sciences, Turkish-German University, Istanbul, Turkey.
  • Durdagi S; Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul, Turkey.
  • Kurgan L; Department of Computer Science, Virginia Commonwealth University, Richmond, Virginia, USA.
  • Uversky VN; Department of Molecular Medicine, USF Health Byrd Alzheimer's Research Institute, Morsani College of Medicine, University of South Florida, Tampa, Florida, USA.
  • Ulver B; Laboratory of New Methods in Biology, Institute for Biological Instrumentation of the Russian Academy of Sciences, Federal Research Center "Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences", Pushchino, Russia.
  • Dervisoglu H; TUBITAK, Turkish Scientific and Technological Research Council, BILGEM, Istanbul, Turkey.
  • Haklidir M; TUBITAK, Turkish Scientific and Technological Research Council, BILGEM, Istanbul, Turkey.
  • Hasekioglu O; TUBITAK, Turkish Scientific and Technological Research Council, BILGEM, Istanbul, Turkey.
  • Coskuner-Weber O; TUBITAK, Turkish Scientific and Technological Research Council, BILGEM, Istanbul, Turkey.
Proteins ; 89(10): 1289-1299, 2021 10.
Article in En | MEDLINE | ID: mdl-34008220
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Full text: 1 Database: MEDLINE Main subject: Water / Molecular Dynamics Simulation / Middle East Respiratory Syndrome Coronavirus Type of study: Prognostic_studies Limits: Humans Language: En Journal: Proteins Journal subject: BIOQUIMICA Year: 2021 Type: Article Affiliation country: Turkey
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Full text: 1 Database: MEDLINE Main subject: Water / Molecular Dynamics Simulation / Middle East Respiratory Syndrome Coronavirus Type of study: Prognostic_studies Limits: Humans Language: En Journal: Proteins Journal subject: BIOQUIMICA Year: 2021 Type: Article Affiliation country: Turkey