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

Calculation of electrostatic properties using mFES
Ilkay Sakalli
2014-01-27, 10:00 AM
Fabeckstr. 36a, Large room

The Niemann-Pick Type C disease: Insights from molecular modeling
Nadia Elghobashi-Meinhardt
2013-10-23, 10h
Fabeckstr. 36a, Large room

A benchmark set for protein docking - interaction partner identification and interface comparison
Florian Krull
2013-03-14, 10:00h
Fabeckstr. 36a, Large room

Prediction of Adverse Drug Reaction with Machine Learning method
Hao Wang
2013-01-24, 10:00 AM
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Issues in computation of pKa values of hexa-aqua-complexes of Fe and Mn
Gegham Galstyan
2012-11-01, 10:00 AM
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

FESolver: A finite element solver calculating pKa values
Ilkay Sakalli
2012-10-25, 10:00h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Importance of water and Glu286 in cytochrome c oxidase
Michael Bauer
2012-06-28, 10:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Protein Folding Transition Path Times Explored with Single Molecule Fluorescence
Prof. William Eaton, NIH Washington
2012-06-19, 12:30 Uhr
Liese Meitner Hoersaal

Accuracy matters: A closer look at 3D pharmacophore perception and virtual screening
Prof. Dr. Gerhard Wolber
2012-05-31, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Calculation of pKa values using finite elements
Ilkay Sakalli
2012-05-10, 10:30h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Prediction of protein residue contacts based on residues coevolution using probabilistic model
Mayumi Kamada
2012-04-26, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Conformational entropy from molecular simulations
Jorge Numata
2012-04-10, 10:15
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Vorhersage von Biochemischen Systemen mit Hilfe der DemPRED Bibliothek.
Oezguer Demir
2012-04-04, 10:15
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

10:00 Giulia Morra, Functional Dynamics and Allosteric Inhibition of the Chaperone Protein Hsp90
11:00 Jorge Numata, PhD Defense practice talk
2012-03-29, 10:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Protein Docking
Jan Zacharias, Gerrit Korff and Florian Krull
2012-03-16, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Calculation of pKa values and solving the Poisson equation using the Finite Element Method
Ilkay Sakalli
2012-02-08, 17:00h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Kinase-specific phosphorylation sites predicted with linear scoring functions
Ozgur Demir
2012-01-17, 17:00h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Electrostatic Basis for Selectin-Ligand Binding
Anna Lena Woelke
2012-01-12, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Efficient modeling of flexibility during association and structure formation of biomolecules
Prof. Martin Zacharias
2011-12-16, 14:15 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Database of multivalent receptors deduced from the database of protein structures
Tim Meyer
2011-12-08, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Building Classifiers of Biological Networks
Timothy Hancock
2011-11-21, 15:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

The Niemann-Pick Type C Disease
Nadia Elghobashi-Meinhardt
2011-11-17, 10:00h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Formal connection between theory and experiment for colloidal probe microscopy of a polymer brush
Dennis Diestler
2011-11-10, 10:00h
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Enhanced Bivalent Binding Efficiency: Role of Concave and Convex Receptor Surface and Weak Spacer-Receptor Attraction
Jorge Numata
2011-11-03, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

A computational study of Imidazolium-Based Heterophanes
Juan Sanz Garcia
2011-09-27, 14:00 Uhr
Fabeckstr. 36a / AG Knapp

Seminar for the practical course on Computer Simulation of Biomolecules
Students
2011-07-20, 17:00
AG-Knapp Container (Big room)

Domain-Based Mathematical Models for Protein Evolution
Prof. Tatsuya Akutsu
2011-07-15, 15:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Can redox states and protonation patterns of oxomanganese complexes be recognized from their structures
Arturo Robertazzi
2011-06-16, 15:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Oxygen-evolving Mn cluster in photosystem II: protonation pattern in S1-state and oxidation state in the crystal
Artur Galstyan
2011-06-15, 11:30
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Hybrid QM/MM approaches for addressing problems in biosciences
Dr. Nadia Elghobashi-Meinhardt
2011-06-09, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Monte Carlo simulations of polymer brushes
Seckin Gunay
2011-05-27, 10:00
AG-Knapp Container (Big room)

The Influence of spacer-receptor interactions on the stability of bivalent ligand-receptor complexes
Jorge Numata
2011-05-24, 14:00
AG-Knapp Container (Big room)

Evaluation of the SFB765: Multivalency in Chemistry and Biochemistry
SFB765 Project Leaders
2011-05-19, 9:00-12:30 (obligatory for SFB765 members, optional for other AG-Knapp members)
Seminar room, ZIB, Takustr. 7

Can redox states and protonation patterns of oxomanganese complexes be recognized from their structures
Arturo Robertazzi
2011-05-16, 15:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Drug Discovery From a Pharmacokinetic Perspective
Ilkay Sakalli
2011-04-28, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Analyzing Critical Constraints of Peptide Vaccination in Cancer Treatment Using the Multi-Agent-System VaccImm
Anna Lena Woelke
2011-04-21, 10:00 Uhr
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

(optional) Evaluation of the SFB765: Multivalency in Chemistry and Biochemistry

2011-04-19, 9:00-16:00
Seminar room, ZIB, Takustr. 7

Praktikum results: Computer Simulation of Biomolecules
Hanske, Zimmermann, Fricke, Niggemann, Tadeus
2011-03-24, 10:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

PhD defense
Shaping electrostatic energy computations in proteins: The ClC-type proton-chloride antiporter function
Gernot Kieseritzky
2011-02-23, (Wednesday) 10:15h
Takustr. 6, SR 328 (3. OG), AG Wahl

Computational studies of biosystems: From metal-based anticancer drugs to anion-pi interactions
Arturo Robertazzi
2011-02-09, (Wednesday) 17:15
Takustr. 3 (OC), Big seminar room

Computational study of lactam-lactim tautomerism in vacuum and aqueous solution
Gegham Galstyan
2011-02-03, 10:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Thermodynamic properties of continuous polymer models
Jorge Numata
2011-01-17, (Monday) 10:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Optical properties of gold nanoparticles and field enhancements using Time-Dependent Local Density Approximation
El-Amine Madjet
2010-12-15, (Wednesday) Time 17:15
Hoersaal Takustr. 3

TBA
Ozgur Demir
2010-12-09, 11:15
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

Molecular dynamics simulation of uranium dioxide/Monte Carlo simulations of polymer models
Seckin Günay
2010-12-09, 10:15
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)

TBA
Jan Zacharias
2010-11-25, 10:00
AG Sänger

Solving the Poisson-Boltzmann Equation on Massively Parallel Machines / Implicit modelling of water cavities for the prediction of pKa-values in proteins
Ilkay Sakalli / Tim Meyer
2010-11-18, 10:00
AG Sänger

Grid-based polymer models for linkers in multivalent ligand binding
Emanuel Hupf
2010-11-04, 10:00
AG Sänger

TBA
Mayumi Kamada
2010-10-28, 10:00
Container Big Room

Electron and proton coupling in Rieske proteins
Ana P. Gamiz-Hernandez
2010-08-19, 14:00
AG Knapp

.Optical properties of gold nanoparticles
Madjet El-Amin
2010-07-16, 10:00
Friday Container

tba
Dawid Rasinsky
2010-07-01, 10:00
Container Big Room

SPARROW goes public
Francesco Bettella
2010-06-24, 10:00
Container Big Room

Statistical mechanics of proteins and pharmaceutical polymers
Jorge Numata
2010-06-10, 10:00
Container

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Artur Galstyan
2010-06-03, 10:00
Container

Detection of single receptor bindings at cell membranes with photonic force microscopy
Tim Meyer
2010-05-06, 10:00
Container Big Room

Breathing Motions of Respiratory Proteins
Arturo Robertazzi
2010-04-29, 10:00
tba

Interactions between electron-rich molecules and electron-poor pi-rings: a new supramolecular bond
Dr. Patrick Gamez
2010-02-18, 10.00
container big room

Ruthenium-based anticancer compounds. A literature survey.
Dr. Arturo Robertazzi
2010-02-18, 11.15
container big room

Kinase-specific phosphorylation sites predicted with linear scoring functions.
Oezguer Demir-Kavuk
2010-01-21, 11:00
container big room

Calculation of optical spectra of plant light-harvesting complex II
Frank Müh
2010-01-18, 14:00
Container big room

What circular permuted proteins can teach us about protein evolution.
Tobias Schmidt-Gnner
2009-12-02, 14:00
container - big room

RNA Structure and Sequence Optimisation and the Force Field From Hell
Torda
2009-11-27, 14:00
lecture hall crystallography

Protein secondary structure prediction using optimized scoring functions: a comparative statistical method
Francesco Bettella
2009-11-27, 16:00
lecture hall crystallography

Simple Models of Complex Conductivity Properties of Calcium and Sodium Channels
Prof. Dr. Bob Eisenberg
2009-11-02, 17:00 Uhr c.t.
Fachbereich Physik/Institut für Experimentalphysik (Hrsaal B 0.1.01) Arnimalle 14, 14195, Berlin

Ph.D. defence rehearsal
Francesco Bettella
2009-10-21, 14:00
container - big room

Electrostatic study on rubredoxin
Ana Patricia L Gamiz Hernandez
2009-06-24, 10:00
AG Knapp

Strategien für die strukturbasierte Analyse der Proteinfunktionalität
Aysam Guerler
2009-06-24, 16:00
AG Saenger

Disputation - Bindungsklassifizierung von Liganden am Beispiel von HLA-A0201
Henning Riedesel
2009-06-19, 16:00
AG Saenger, Seminarraum

Energetics of proton transport through the E. choli ECLC-type proton-chloride exchange transporter
Gernot Kieseritzky
2009-06-17, 10:00 sharp
Seminar room AG Saenger

Computational studies of systems of biological interest
Arturo Robertazzi
2009-06-15, 11.00
Seminarraum 328 der AG Saenger

A two-step method to compute accurately pKa values and redox-potentials of organic molecules in different dielectric media
M. Schmidt am Busch
2009-05-11, 11.00h sharp
Takustr. 6 Room 323

Rieske proteins model compounds
Ana P. Gamiz
2009-04-03, 14:00
AG Knapp

To be announce
Henning Riedesel
2009-04-03, 10:00
AG Saenger

Redox potential factors shifting redox potential in Iron-Sulphur proteins
Ana Patricia Gamiz Hernandez
2009-01-15, 10.00
Seminar room AGSaenger

Knowledge based classification using a linear scoring function on the example of HLA protein-peptide binding
Henning Riedesel
2009-01-08, 10:15
AG Saenger

Evaluations of mutations using 3D-structures of proteins
Christoph Gille
2008-12-18, 14:00
AG Saenger

Inverted symmetries in protein structure space
Aysam Guerler
2008-12-18, 10:00
AG Saenger

Qualitative prediction of drug molecule activity
Oezguer Demir
2008-12-11, 10:00
AG Saenger

Calculation of optical spectra of plant light-harvesting complex II
Frank Mueh
2008-12-04, 10.00
AG Saenger

A brief history of vector scoring functions
Dawid Rasinski
2008-11-27, 10.00
Seminarraum 328, AG Saenger

Estimating entropy from simulation trajectories-The role of multiplicity in molecular conformations
Jorge Numata
2008-11-18, 16.00
ZIB, Takustr. 7, Seminarraum 2006 (Rundbau, EG)

Wissensbasierte Analyse von Biomolekülen zur Vorhersage ihrer Wechselwirkungen
Herrn Dipl.--Biol. Stefan Günther
2008-11-13, 15.15
Raum 12.12 Takustr. 3

Circular permuted proteins in the protein structure universe
Tobias Schmidt-Goenner
2008-11-06, 10.00
Seminarraum 328, AG Saenger

Secondary structure prediction, rounding edges
Francesco Bettella
2008-10-30, 10.00
AG Saenger, Seminarraum

Mesoscopic Systems
Dr. Thomas Renger
2008-10-23, 10.00
AG Saenger, Seminarraum

Disputation: Energy Transfer in Photosystem II
Grzegorz Raszewski
2008-09-18, 15:15
Seminarraum Sänger

Disputation: Accurate Redox Potentials of Transition Metal Complexes Calculated Using Density Functional Theory and Electrostatics
Artur Galstyan
2008-09-17, 11:00
Seminarraum 328, AG Saenger

Folding peptides into bilayers / SFB 498
Dr. Martin Ulmschneider / University of Oxford
2008-09-11, 15:00
Institute of Chemistry, Takustrasse 6, Seminarraum 328

Accurate redox potentials of transition metal complexes calculated using density functional theory and electrostatics
Artur Galstyan
2008-09-10, 10:00
Seminarraum

Monte Carlo stability analysis of docking decoys
Stephan Lorenzen
2008-07-10, 10:00
Seminar room AG Saenger

Energy Transfer in Photosystem II (Version 2.0 - better and uncut)
Grzegorz Raszewski
2008-07-03, 10:30 a.m.
Seminar room AGSaenger

Electrostatics of the E. coli CLC chloride channel
Gernot Kieseritzky
2008-07-03, 11:30 am
Seminar room AG Saenger

Energy Transfer in Photosystem II
Grzegorz Raszewski
2008-06-19, 10 a.m.
Seminar room AGSaenger

Rubredoxin as starting point to understand redox potential in iron-sulphur proteins
Ana Patricia Gamiz
2008-05-29, 10:00
Seminar room AGSaenger

Indirect drug design: Finally leading to Consensus structure
Alok Juneja
2008-05-22, 10:00
Hörsaal Kristallographie

PhD defense practice: Conformational entropy from molecular simulations: Statistical mechanics using the tools of information theory
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)
0000-00-00, 11:00
Takustr. 6, 3rd floor, Seminar Room 328 (AG-Wahl)