المؤلفون: Ritacca, Alessandra G., Rovaletti, Anna, Moro, Giorgio, Cosentino, Ugo, Ryde, Ulf, Sicilia, Emilia, Greco, Claudio

المصدر: ACS Catalysis eSSENCE: The e-Science Collaboration. 12(12):7336-7343

مصطلحات موضوعية: BigQM, biocatalysis, CO oxidation, dehydrogenase, molybdenum, O resistance, QM/MM, xanthine oxidase, Naturvetenskap, Kemi, Teoretisk kemi, Natural Sciences, Chemical Sciences, Theoretical Chemistry

URL الوصول: https://lup.lub.lu.se/record/8088cb0f-12f2-4223-95d6-0a5590fdc036
http://dx.doi.org/10.1021/acscatal.2c01408

المؤلفون: Rovaletti, Anna, Greco, Claudio, Ryde, Ulf

المصدر: Journal of Molecular Modeling eSSENCE: The e-Science Collaboration. 27(3)

مصطلحات موضوعية: BigQM approach, Force field parametrization, H oxidation, Hydrogenases, MoCu CO dehydrogenase, QM/MM, Naturvetenskap, Kemi, Teoretisk kemi, Natural Sciences, Chemical Sciences, Theoretical Chemistry

URL الوصول: https://lup.lub.lu.se/record/ac1a5704-8f3c-49ce-9f39-09bc34bc1eb9
http://dx.doi.org/10.1007/s00894-020-04655-3

المؤلفون: Alessandra G. Ritacca, Anna Rovaletti, Giorgio Moro, Ugo Cosentino, Ulf Ryde, Emilia Sicilia, Claudio Greco

المساهمون: Ritacca, A, Rovaletti, A, Moro, G, Cosentino, U, Ryde, U, Sicilia, E, Greco, C

مصطلحات موضوعية: O2 resistance, BigQM, molybdenum, dehydrogenase, biocatalysi, General Chemistry, CO oxidation, QM/MM, Catalysis, xanthine oxidase

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8568db28227a3fcf20afda9f9fa207b7
http://hdl.handle.net/10281/381295

لا يتم عرض هذه النتيجة على الضيوف.
تسجيل الدخول للوصول الكامل.

المؤلفون: C Greco, Ulf Ryde, Anna Rovaletti

المساهمون: Rovaletti, A, Greco, C, Ryde, U

المصدر: Journal of Molecular Modeling

مصطلحات موضوعية: Models, Molecular, Hydrogenase, BigQM approach, Hydrogenases, QM/MM, Catalysis, MoCu CO dehydrogenase, Inorganic Chemistry, symbols.namesake, Computers, Molecular, Computational chemistry, Multienzyme Complexes, Catalytic Domain, Theoretical chemistry, Physical and Theoretical Chemistry, Force field parametrization, Original Paper, biology, Hydrogenase activity, Chemistry, Organic Chemistry, Active site, Hydrogen Bonding, Aldehyde Oxidoreductases, Computer Science Applications, CO dehydrogenase, Computational Theory and Mathematics, Models, Chemical, biology.protein, symbols, van der Waals force, Oxidation-Reduction, Copper, Hydrogen, H2 oxidation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0403bf405f9503b02cc8cd838bab00f7
http://hdl.handle.net/10281/301545

المؤلفون: Ritacca, A, Rovaletti, A, Moro, G, Cosentino, U, Ryde, U, Sicilia, E, Greco, C, Ritacca, Alessandra G., Rovaletti, Anna, Moro, Giorgio, Cosentino, Ugo, Ryde, Ulf, Sicilia, Emilia, Greco, Claudio

مصطلحات الفهرس: BigQM, biocatalysi, CO oxidation, dehydrogenase, molybdenum, O2 resistance, QM/MM, xanthine oxidase, info:eu-repo/semantics/article

URL: http://hdl.handle.net/10281/381295
info:eu-repo/semantics/altIdentifier/wos/WOS:000813506700001
volume:12
issue:12
firstpage:7336
lastpage:7343
numberofpages:8
journal:ACS CATALYSIS

المؤلفون: Rovaletti, A, Greco, C, Ryde, U, Rovaletti, Anna, Greco, Claudio, Ryde, Ulf

مصطلحات الفهرس: BigQM approach, Force field parametrization, H2 oxidation, Hydrogenase, MoCu CO dehydrogenase, QM/MM, info:eu-repo/semantics/article

URL: http://hdl.handle.net/10281/301545
info:eu-repo/semantics/altIdentifier/pmid/33538901
info:eu-repo/semantics/altIdentifier/wos/WOS:000617231200001
volume:27
issue:3
journal:JOURNAL OF MOLECULAR MODELING