Upcoming talks  

Upgrade version of DemPred: The trilogy of DemFeature
Hao Wang
2015-02-03, 10.00am
large room (container)

Assignment of Local Protein Structure with different Strategies
Jan Zacharias
2014-12-16, 10:00 am (st)
AG Wahl (Takustr. 6, 3.OG)

Assessment of Binding Free Energy Calculations for Drug Design
Nils Niggemann
2014-05-15, 14:00 s.t.
Semairraum der AG Wahl / Takustrasse 6 3. Stock

Fast finite element methods to solve the Poisson equation
Prof. Joachim Schoeberl
2014-03-13, 14:00 h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Efficient sampling of protein conformations with MD simulation
Dr. Nuria Plattner
2014-02-27, 10.00 AM
Large room

  

Current lectures  

Biostatistik für Studierende der Biochemie (Link)
Lecture will start on 2015-15-04
16:00-17:00h, Hs Kristallographie (Takustr. 6)
Computer simulation of biomolecules (21541a)
Lecture will start on 2015-4-22
Mi 14:00-16:00, Container gegenueber Fabeckstrasse 36A
Praktikum Computer simulation of biological macromolecules (21541b)
Lecture will start on 2020-1-1
nach Vereinbarung (am Ende des Semesters oder in der vorlesungsfreien Zeit) , Container gegenueber Fabeckstrasse 36A
  

Recent publications  

Role of AP-endonuclease (Ape1) active site residues in stabilization of the reactant enzyme-DNA complex
Proteins: Structure, Function, and Bioinformatics, 2018
Batebi - Dragelj - Imhof

Influence of heterogeneity on the ultrafast photoisomerization dynamics of Pfr in Cph1 phytochrome
Photochem. Photobiol. 93 703-712, 2017
Stensitzki - Yang - Wolke - Knapp - Hughes - Mroginski - Heyne

Redox induced protonation of heme propionates in cytochrome c oxidase: Insights from surface enhanced resonance Raman spectroscopy and QM/MM calculations
BBA Bioenergetics 1858 103-108, 2017
Sezer - Woelke - Knapp - Schlesinger - Mroginski - Weidinger

Empirical conversion of pKA values from water to other solvents: application to acetonitrile, dimethyl sulfoxide and methanol
, 2017
Rossini - Bochevarov - Knapp

Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1
Photochemistry and Photobiology 93.3, 713-723., 2017
Takiden - Velazquez-Escobar - Dragelj - Woelke - Knapp - Piwowarski - Bartl - Hildebrandt - Mroginski