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- Land, HenrikKTH,Industriell bioteknologi,Uppsala University, Sweden (author)
YASARA : A tool to obtain structural guidance in biocatalytic investigations
- Article/chapterEnglish2018
Publisher, publication year, extent ...
- 2017-10-31
- New York, NY :Humana Press,2018
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-217482
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-217482URI
- https://doi.org/10.1007/978-1-4939-7366-8_4DOI
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-367320URI
Supplementary language notes
- Language:English
- Summary in:English
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- SwePubSwePub
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Notes
- QC 20171114
- In biocatalysis, structural knowledge regarding an enzyme and its substrate interactions complements and guides experimental investigations. Structural knowledge regarding an enzyme or a biocatalytic reaction system can be generated through computational techniques, such as homology- or molecular modeling. For this type of computational work, a computer program developed for molecular modeling of proteins is required. Here, we describe the use of the program YASARA Structure. Protocols for two specific biocatalytic applications, including both homology modeling and molecular modeling such as energy minimization, molecular docking simulations and molecular dynamics simulations, are shown. The applications are chosen to give realistic examples showing how structural knowledge through homology and molecular modeling is used to guide biocatalytic investigations and protein engineering studies.
Subject headings and genre
- NATURVETENSKAP Biologi Biofysik hsv//swe
- NATURAL SCIENCES Biological Sciences Biophysics hsv//eng
- NATURVETENSKAP Biologi Biokemi och molekylärbiologi hsv//swe
- NATURAL SCIENCES Biological Sciences Biochemistry and Molecular Biology hsv//eng
- Biocatalysis
- Energy minimization
- Enzyme
- Homology modeling
- Molecular docking simulations
- Molecular dynamics simulations
- Molecular modeling
- Protein engineering
Added entries (persons, corporate bodies, meetings, titles ...)
- Svedendahl Humble, MariaKTH,Industriell bioteknologi,Pharem Biotech AB, Sweden(Swepub:kth)u1mmbr9s (author)
- KTHIndustriell bioteknologi (creator_code:org_t)
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- In:Protein EngineeringNew York, NY : Humana Press, s. 43-679781493973644
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