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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





Fabeckstr. 36a, D-14195, Germany, Berlin-Dahlem
+49 30 838 54387
+49 30 838 56921 (Fax)

Protein Electrostatics 2016

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Selected publications

Journal Cover
Aysam Guerler, Connie Wang and E. W. Knapp

Journal Cover
Alok Juneja, Henning Riedesel, Milan Hodoscek and E. W. Knapp

Journal Cover
Gegham Galstyan and E. W. Knapp

Journal Cover
Ilkay Sakalli and E. W. Knapp

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