mawi969-01a: Advancing Functional Polymeric Materials Through Computational Design 2 (AFPM-2) (080148)- Dozentinnen/Dozenten
- Prof. Dr. Zeynep Altintas, Dr. Nastasia Sanda Moldovean-Cioroianu
- Angaben
- Fachpraktische Übung, 4 SWS, ECTS-Studium, ECTS-Credits: 5
Praesenzveranstaltung, für ERASMUS-/Austauschstudierende geeignet, Unterrichtssprache Englisch
Zeit und Ort: Di 9:15 - 12:45, KS2/Geb.F - PC-Labor
vom 14.4.2024 bis zum 14.7.2024
Bemerkung zu Zeit und Ort: link Vorbesprechung: https://uni-kiel.zoom-x.de/j/65897936270?pwd=ampWUzMrbHgxS0xnZUhMZExDRWcwZz09
- Studienfächer / Studienrichtungen
- WPFL MatSci-MA ab 1 (ECTS-Credits: 5)
WPFL WiIng-MaWi-MA ab 1 (ECTS-Credits: 5)
- Voraussetzungen / Organisatorisches
- This course is a practicum-based one, hence it requires fundamental knowledge in molecular dynamics techniques.
Attendance is highly recommended for students who have participated in CBM-I and/or CBM-II courses.
This course is appropriate for B.Sc. and M.Sc. students of the Materials Science, Computer Science, Chemistry, Biology, Molecular and Structural Biology, Medicine, and Pharmacy. Although the participation to this course does not require any specific prerequisite or capacity testing, the B.Sc. students are expected to be at a senior level (i.e. starting as of summer semester of the second year).
- Inhalt
- Biomolecular structures and interactions
Molecular docking analysis/validation
MD set-up, production and analysis
Results presentation and/or manuscript preparation
- Empfohlene Literatur
- Z. Altintas (2023). Molecularly Imprinted Polymers: Computational Studies to Advanced Applications. Springer.
Olsson, G.D., Wiklander, J.G., Nicholls, I.A. (2021). Using Molecular Dynamics in the Study of Molecularly Imprinted Polymers. In: Martín-Esteban, A. (eds) Molecularly Imprinted Polymers. Methods in Molecular Biology, vol 2359. Humana, New York, NY.
- Zusätzliche Informationen
- Erwartete Teilnehmerzahl: 15
mawi971-01a: Computational Bio-Molecular Modeling 2 (CBM 2) (080268)- Dozentinnen/Dozenten
- Prof. Dr. Zeynep Altintas, Dr. Nastasia Sanda Moldovean-Cioroianu
- Angaben
- Vorlesung, 2 SWS, ECTS-Studium, ECTS-Credits: 5
Praesenzveranstaltung, für ERASMUS-/Austauschstudierende geeignet, Unterrichtssprache Englisch
Zeit und Ort: Mo 9:15 - 10:45, KS2/Geb.F - PC-Labor
vom 14.4.2024 bis zum 14.7.2024
Bemerkung zu Zeit und Ort: Link Vorbesprechung: https://uni-kiel.zoom-x.de/j/65897936270?pwd=ampWUzMrbHgxS0xnZUhMZExDRWcwZz09
- Studienfächer / Studienrichtungen
- WPFL MatSci-MA ab 1 (ECTS-Credits: 5)
WPFL WiIng-MaWi-MA ab 1 (ECTS-Credits: 5)
- Voraussetzungen / Organisatorisches
- This course is appropriate for B.Sc. and M.Sc. students of the Materials Science, Computer Science, Chemistry, Biology, Molecular and Structural Biology, Medicine, and Pharmacy. Although the participation to this course does not require any specific prerequisite or capacity testing, the B.Sc. students are expected to be at a senior level (i.e. starting as of summer semester of the second year).
- Inhalt
- Students know why and when to use computational methods in the study of biomolecular systems. They have experience and knowledge of biomolecular structures and interactions, structure-function correlations of biomolecular complexes, and molecular force fields. They have learned to model molecular mechanics (MM) and molecular dynamics (MD) and to master recognition elements (MIPs, antibodies, aptamers, peptides). Students know the impact of molecular modeling on imprinting technology and diagnostics and how computational findings align with experimental studies.
Bio-materials design using molecular docking and molecular dynamics techniques.
Levels of theory in computational approaches
Protein Data Bank and PubChem
Biomolecular structures physics underlying the 3D structure of (bio)macromolecules
Biomolecular interactions - physics underlying the interaction between multiple (bio)molecules
Protein structure: primary, secondary, tertiary and quaternary
DNA, RNA and small molecular structures
Protein dynamics and structure-function correlation
Molecular force fields (bonded vs. non-bonded potentials)
Molecular mechanics (MM) and docking
Molecular dynamics (MD): introduction, workflow and aims
Bio-inspired imprinting materials
Molecularly imprinted polymers (MIPs) as recognition elements and application
MD workflow in MIPs design
- Empfohlene Literatur
- Z. Altintas (2023). Molecularly Imprinted Polymers: Computational Studies to Advanced Applications. Springer.
Z. Altintas (2018). Biosensors and Nanotechnology -Applications in Health Care Diagnostics. John Wiley & Sons Press. Print ISBN: 9781119065012, Electronic ISBN: 9781119-065173
Nicholls, I.A.; Golker, K.; Olsson, G.D.; Suriyanarayanan, S.; Wiklander, J.G. (2021). The Use of Computational Methods for the Development of Molecularly Imprinted Polymers. Polymers 13, 2841. DOI: 10.3390/polym13172841.
Olsson, G.D., Wiklander, J.G., Nicholls, I.A. (2021). Using Molecular Dynamics in the Study of Molecularly Imprinted Polymers. In: Martín-Esteban, A. (eds) Molecularly Imprinted Polymers. Methods in Molecular Biology, vol 2359. Humana, New York, NY. DOI: 10.1007/978-1-0716-1629-121.
- Zusätzliche Informationen
- Erwartete Teilnehmerzahl: 15
- Zugeordnete Lehrveranstaltungen
- FPUE: mawi971-01a: Computational Bio-Molecular Modeling 2 (080269)
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Dozentinnen/Dozenten: Prof. Dr. Zeynep Altintas, Dr. Nastasia Sanda Moldovean-Cioroianu
Zeit und Ort: Mo 11:00 - 13:30, KS2/Geb.F - PC-Labor
mawi971-01a: Computational Bio-Molecular Modeling 2 (CBM 2 P) (080269)- Dozentinnen/Dozenten
- Prof. Dr. Zeynep Altintas, Dr. Nastasia Sanda Moldovean-Cioroianu
- Angaben
- Fachpraktische Übung, 3 SWS
Praesenzveranstaltung, für ERASMUS-/Austauschstudierende geeignet, Unterrichtssprache Englisch, ECTS s. Vorlesung
Zeit und Ort: Mo 11:00 - 13:30, KS2/Geb.F - PC-Labor
vom 14.4.2024 bis zum 14.7.2024
- Studienfächer / Studienrichtungen
- WPFL MatSci-MA ab 1
WPFL WiIng-MaWi-MA ab 1
- Zugeordnet zu: mawi971-01a: Computational Bio-Molecular Modeling 2 (080268)
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