Veranstaltungsdaten

Beschreibung: This combined lecture and hands-on computer tutorial is the continuation of the lecture “Theoretical and Computational Biophysics” (usually taking place in the previous winter term) and offers the possibility to deepen the knowledge about theory and computer simulations of biomolecular systems, particularly proteins. During the exercises, the knowledge presented in the lecture is applied to practical examples to further deepen and strengthen the understanding. By completing homework sets, which are distributed after each lecture, additional aspects of the addressed topics during the lecture shall be worked out. The homework sets are collected during the corresponding exercises.

Whereas the lecture “Theoretical and Computational Biophysics” emphasized the principles of running and analyzing simple atomistic force field-based simulations, this advanced course will broaden our view and introduce concepts and methods particularly required to understand biomolecular function, namely thermodynamic quantities such as free energies and affinities. Further, inclusion of quantum mechanical simulation techniques will allow to also simulate chemical reactions, e.g., in enzymes.

The following topics will be introduced and further discussed: Quantum mechanical methods, Hartree-Fock and Density Functional Theory, Rate Theory, Non-equilibrium thermodynamics, Charge transfer and photosynthesis, Free energy calculations.

Organisatorial details:

Online:
Details on how the online lecture/the online practical are organized will be announced in due time. Please check the StudIP entry regularly.

In Presence:
The course will alternate between two rooms in the Physics Faculty: Lectures take place in a lecture hall and the hands-on computer tutorial takes place in a computer/seminar room, Friedrich-Hund-Platz 1, 37077 Göttingen. The room numbers will be announced in due time.

In both cases, virtual or on-site class, participants need an individual account to access the CIP-Pool computers of the Physics Faculty: Please contact the CIP-Pool administrator < support@cip.physik.uni-goettingen.de > or the tutor (will be announced in StudIP) in advance

Important:

Once participation has become binding after the signing-out period, cancellation is only possible via the GGNB or GAUSS Office with a) sick certificate, or b) statement by supervisor for scientific reasons. If you do not provide this, you will be excluded from courses for the next 12 months, as well as travel grants and other financial support. No exceptions.

By signing up you agree (1) to carefully check whether you will be able to attend the course (do not register for 2 courses taking place on the same dates - the above mentioned sanctions apply!), (2) to frequently check your student e-mail account, as all information on courses will exclusively be sent to that account; (3) that your name and e-mail address may be forwarded to the course instructor(s) for communication before and after the course; (4) to complete the course evaluation; (5) inform us if you no longer wish to maintain a waiting list position; (6) that you only receive credits for attending the entire workshop - you will not get partial credits for part-time attendance.